Keyword Index

A

  • Ability of heating factor A Numerical Investigation of the Thermal Transport Properties of Argon + Hydrogen Plasma Working Gases in the Presence of Various TiO2 Precursor Solutions [Volume 11, Issue 4, 2023, Pages 897-912]
  • Ab initio Hydrogen Abstraction Reaction of Hydroxyl Radical with 1,1-Dibromoethane and 1,2-Dibromoethane Studied by Using Semi-Classical Transition State Theory [Volume 2, Issue 2, 2014, Pages 123-130]
  • Ab initio Microsolvation of NO2+ in Helium: An Ab Initio Study on NO2+-Hen Clusters (n ≤ 7) [Volume 4, Issue 1, 2016, Pages 109-117]
  • Ab initio Ab Initio Theoretical Studies on the Kinetics of the Hydrogen Abstraction Reaction of Hydroxyl Radical with CH3CH2OCF2CHF2 (HFE-374pc2) [Volume 4, Issue 3, 2016, Pages 417-425]
  • Ab initio The Influence of Cation-π Interactions on the Strength and Nature of Intramolecular O...H Hydrogen Bond in Orthohydroxy Benzaldehyde Compound [Volume 5, Issue 1, 2017, Pages 57-68]
  • Ab initio calculations Conformational analysis of N- and C-terminally protected tripeptide model glycyl-isoleucine-glycyl: An ab initio and DFT study [Volume 2, Issue 1, 2014, Pages 68-75]
  • Ab initio calculations Study of Dehydrogenation of Pressure-induced NaBH4 Structures Using Calculated NQCC Parameters [Volume 6, Issue 3, 2018, Pages 657-666]
  • Absorbents Removal of Methylene Blue Dye from an Aqueous Solution by an Adsorption Technique Using Sulfonated Polystyrene as Three Low-cost Adsorbents [Volume 12, Issue 2, 2024, Pages 453-465]
  • Absorption Estimation of Solubility of BTEX, Light Hydrocarbons and Sour Gases in Triethylene Glycol Using the SAFT Equation of State [Volume 8, Issue 2, 2020, Pages 251-266]
  • Absorption properties DFT Studies on Molecular Structure, Absorption properties, NBO Analysis, and Hirshfeld Surface Analysis of Iron(III) Porphyrin Complex [Volume 9, Issue 4, 2021, Pages 701-713]
  • Acacia melanoxylon Biosynthesis of Silver Nanoparticles Using Leaves of Acacia Melanoxylon and their Application as Dopamine and Hydrogen Peroxide Sensors [Volume 8, Issue 1, 2020, Pages 1-18]
  • ACE2 Towards Screening and Repurposing of Approved Drugs for the Treatment of COVID-19 Using Molecular Docking [Volume 11, Issue 4, 2023, Pages 707-723]
  • Acentric factor Metal-Containing Ionic Liquids: Anion and Cation Contribution on Thermo-Physical Parameters [Volume 12, Issue 1, 2024, Pages 175-187]
  • Acetaminophen Volumetric, Acoustic and Conductometric Studies of Acetaminophen in Aqueous Ionic Liquid, 1-Octyl-3-methylimidazolium Bromide at T = 293.15-308.15 K [Volume 4, Issue 1, 2016, Pages 119-141]
  • Acetaminophen The Effect of pH on the Liquid-liquid Equilibrium for a System Containing Polyethylene Glycol Di-methyl Ether and Tri-potassium Citrate and its Application for Acetaminophen Separation [Volume 5, Issue 3, 2017, Pages 555-567]
  • Acetonitrile Estimating the Acoustical Parameters and Molecular Interactions of n-Butylammonium perchlorate in Mixed Organic Solvents in the Temperature Range 298-328 K [Volume 8, Issue 4, 2020, Pages 737-753]
  • Acetylcholinesterase The Length Dependent Activity of Oximes on Reactivation of Tabun Inhibited Acetylcholinesterase; A Theoretical Study [Volume 5, Issue 2, 2017, Pages 309-315]
  • Acetylcholinesterase Benzimidazole Derivatives in Identifying Novel Acetylcholinesterase Inhibitors: A Combination of 3D-QSAR, Docking and Molecular Dynamics Simulation [Volume 10, Issue 2, 2022, Pages 237-249]
  • Acetylcholinesterase (AChE) Docking and 2D-Structure-activity Relationship and ADMET Studies of Acetylcholinesterase Inhibitors [Volume 10, Issue 1, 2022, Pages 31-44]
  • Acetylene Theoretical Study on the Kinetics of the Reaction of C2H with C2H2 [Volume 6, Issue 1, 2018, Pages 143-157]
  • Acetylphenol-rivastigmine 3D QSAR, Molecular Docking, and ADMET Studies of a Series of 2-Acetylphenol-Rivastigmine Hybrids against Monoamine Oxidase A Inhibitors [Volume 12, Issue 1, 2024, Pages 249-262]
  • Acid Blue 113 Removal of Acid Blue 113 Textile Dye from Synthetic Aqueous Solution by Adsorption and Flocculation Process Using Cationic Copolymer Poly(n-hexadecyl-4-vinylpyridinium Bromide) [Volume 12, Issue 1, 2024, Pages 61-72]
  • Acid Blue 62 Physical Chemistry Studies of Acid Dye Removal from Aqueous Media by Mesoporous Nano Composite: Adsorption Isotherm, Kinetic and Thermodynamic Studies [Volume 5, Issue 4, 2017, Pages 659-679]
  • Acid dyes Adsorption of Acid Dyes on Modified Mesoporous SBA-15: Comparison of Two Dyes [Volume 6, Issue 3, 2018, Pages 565-581]
  • Acoustic Impedance Estimating the Acoustical Parameters and Molecular Interactions of n-Butylammonium perchlorate in Mixed Organic Solvents in the Temperature Range 298-328 K [Volume 8, Issue 4, 2020, Pages 737-753]
  • Acrylamide Flocculation of Clay Suspensions Using Copolymers Based on Acrylamide and Biopolymer [Volume 11, Issue 2, 2023, Pages 221-230]
  • Acrylic acid pH Sensitive Hydrogel Based Acrylic Acid for Controlled Drug Release [Volume 5, Issue 1, 2017, Pages 185-193]
  • Activated carbon Phenol Adsorption from Aqueous Phase onto Prepared Low-cost Carbons from Natural Sources: A Comparative Study [Volume 7, Issue 2, 2019, Pages 327-346]
  • Activated carbon The Perlite-calcium Alginate-activated Carbon Composite as an Efficient Adsorbent for the Removal of Dyes from Aqueous Solutions [Volume 9, Issue 1, 2021, Pages 1-16]
  • Activated carbon Comparative Study of Adsorption of Safranin o by TiO2/Activated Carbon and Chitosan/TiO2/Activated Carbon Adsorbents [Volume 9, Issue 4, 2021, Pages 605-621]
  • Activated carbon Bio-sorption of As(V) from Aqueous Solutions by Thuja Occidentalis Leaves Activated Carbon@Al Embedded Material [Volume 11, Issue 2, 2023, Pages 287-297]
  • Activated carbon Removal of Formaldehyde from Aqueous Solution Using Low-cost and Reusable Adsorbents [Volume 11, Issue 4, 2023, Pages 853-864]
  • Activated clay Graphene Oxide/Activated Clay/Gelatin Composites: Synthesis, Characterization and Properties [Volume 10, Issue 1, 2022, Pages 143-150]
  • Activation New Activated Carbon from Persian Mesquite Grain as an Excellent Adsorbent [Volume 5, Issue 1, 2017, Pages 81-98]
  • Activity coefficient Study of Activity Coefficient of Hydrochloric Acid in 2-Propanol-Water Mixture by Electromotive Force Measurement Method [Volume 2, Issue 2, 2014, Pages 151-158]
  • Activity coefficient Thermodynamic Study of the Ternary Electrolyte (1-Butyl-3-methylimidazolium chloride + sodium chloride + Water) System Using Potentiometric Measurements [Volume 3, Issue 2, 2015, Pages 145-154]
  • Activity coefficient Determination and Modeling of Activity Coefficients of Sodium Chloride in (Glycerol + Water) Mixtures Based on Potentiometric Measurements [Volume 3, Issue 4, 2015, Pages 305-318]
  • Activity coefficient Modeling the Thermodynamic Properties of Solutions Containing Polymer and Electrolyte with New Local Composition Model [Volume 5, Issue 3, 2017, Pages 505-518]
  • Activity coefficient A New Surface Tension Model for Prediction of Interaction Energy between Components and Activity Coefficients in Binary Systems [Volume 6, Issue 2, 2018, Pages 335-363]
  • Activity coefficient Determination and Modeling the Activity Coefficients of 1-Propyl-3- methylimidazolium Bromide in the Ethanol + Water Mixtures at T = (298.2, 308.2 and 318.2) K [Volume 6, Issue 4, 2018, Pages 741-758]
  • Activity coefficient A Nonextensive Electrolyte UNIQUAC Model for Prediction of Mean Activity Coefficients of Binary Electrolyte Solutions [Volume 6, Issue 4, 2018, Pages 773-784]
  • Adamantane Theoretical Study of the Correlation between 14N NQCC and Its Partial Atomic Charge in Amino Derivatives of Adamantane [Volume 6, Issue 1, 2018, Pages 133-142]
  • ADME Discovery of New Inhibitors of Enoyl-ACP Reductase via Structure-Based Virtual Screening [Volume 11, Issue 3, 2023, Pages 459-469]
  • ADME In Silico Studies on the Molecular Geometry, FMO, Mulliken Charges, MESP, ADME and Molecular Docking Prediction of Pyrogallol Carboxaldehydes as Potential Anti-tumour Agents [Volume 12, Issue 2, 2024, Pages 305-320]
  • ADMET Docking and 2D-Structure-activity Relationship and ADMET Studies of Acetylcholinesterase Inhibitors [Volume 10, Issue 1, 2022, Pages 31-44]
  • ADMET Combined 3D-QSAR and Molecular Docking Analysis of Styrylquinoline Derivatives as Potent anti-cancer Agents [Volume 10, Issue 3, 2022, Pages 345-362]
  • ADMET In Silico Prediction of Novel (TRIM24) Bromodomain Inhibitors: A Combination of 3D-QSAR, Molecular Docking, ADMET Prediction, and Molecular Dynamics Simulation [Volume 10, Issue 4, 2022, Pages 519-535]
  • ADMET In-Silico Molecular Docking, Validation, Drug-Likeness, and ADMET Studies of Antiandrogens to Use in the Fight against SARS-CoV-2 [Volume 11, Issue 1, 2023, Pages 9-21]
  • ADMET 3D QSAR, Molecular Docking, and ADMET Studies of a Series of 2-Acetylphenol-Rivastigmine Hybrids against Monoamine Oxidase A Inhibitors [Volume 12, Issue 1, 2024, Pages 249-262]
  • ADMET Discovery of Eugenol-derived Drug Candidates for the Treatment of COVID-19 by Applying Molecular Docking, Molecular Dynamics, and Pharmacokinetic Analysis [Volume 12, Issue 2, 2024, Pages 289-303]
  • ADME-Tox In Silico Approach for Designing Novel SARS-CoV-2 Inhibitors from Medicinal Plants [Volume 11, Issue 3, 2023, Pages 589-604]
  • Adsorbate Adsorption Properties of Folic Acid onto Functionalized Carbon Nanotubes: Isotherms and Thermodynamics Studies [Volume 5, Issue 3, 2017, Pages 519-529]
  • Adsorbent Adsorption Properties of Folic Acid onto Functionalized Carbon Nanotubes: Isotherms and Thermodynamics Studies [Volume 5, Issue 3, 2017, Pages 519-529]
  • Adsorbent ZnO-MgFe2O4/(Mg)- or (Zn)-Al-LDH Composites: Adsorption Efficiency, Kinetics, and Adsorption Isotherm for Congo Red Removal [Volume 9, Issue 2, 2021, Pages 311-325]
  • Adsorbent Removal of Pb(II) Ion from Aqueous Solution Using As-synthesized CuO/Cu2O Nanocomposites [Volume 11, Issue 1, 2023, Pages 171-180]
  • Adsorbent Construction of ZnS/montmorillonite/graphitic Carbon Nitride as Adsorbent and Photocatalyst for the Removal of Rhodamine B [Volume 12, Issue 2, 2024, Pages 273-287]
  • Adsorption A Kinetic Study on Adsorption of Congo Red from Aqueous Solution by ZnO-ZnFe2O4-polypyrrole Magnetic Nanocomposite [Volume 4, Issue 2, 2016, Pages 291-301]
  • Adsorption Coordination and Siting of Cu+ Ion Adsorbed into Silicalite-2 Porous Structure: A Density Functional Theory Study [Volume 5, Issue 1, 2017, Pages 135-152]
  • Adsorption Sensitivity of Perfect and Stone-Wales Defective BNNTs Toward NO Molecule: A DFT/M06-2X Approach [Volume 5, Issue 1, 2017, Pages 167-183]
  • Adsorption Spontaneous Adsorption, and Selective Sensing of CO, and CO2 Greenhouse Gaseous Species by the more Stable Forms of N4B4 Clusters [Volume 6, Issue 2, 2018, Pages 377-385]
  • Adsorption Adsorption Removal of Humic Acid from Water Using a Modified Algerian Bentonite [Volume 6, Issue 3, 2018, Pages 613-625]
  • Adsorption Investigating the Effect of Doping Graphene with Silicon in the Adsorption of Alanine by Density Functional Theory [Volume 6, Issue 3, 2018, Pages 639-655]
  • Adsorption Pb(II) Removal from Synthetic Wastewater Using Kombucha Scoby and Graphene Oxide/Fe3O4 [Volume 6, Issue 4, 2018, Pages 759-771]
  • Adsorption Removal of Zn(II) from Aqueous Solutions Using NiFe2O4 Coated Sand as an Efficient and Low Cost Adsorbent: Adsorption Isotherm, Kinetic and Thermodynamic Studies [Volume 6, Issue 4, 2018, Pages 839-855]
  • Adsorption DFT Study of Adsorption of Lithium on Si, Ge-doped Divacancy Defected Graphene as Anode Material of Li-ion Battery [Volume 6, Issue 4, 2018, Pages 871-878]
  • Adsorption Removal of Manganese(II) from Aqueous Solution by Chemically Activated Thuja Occidentalis Leaves Carbon (CATLC) as an Adsorbent: Adsorption Equilibrium and Kinetic Studies [Volume 7, Issue 1, 2019, Pages 11-26]
  • Adsorption Response Surface Methodology for Optimizing Adsorption Process Parameters of Amaranth Removal Using Magnetic Layer Double Hydroxide (Fe3O4/ZnFe-LDH) [Volume 7, Issue 1, 2019, Pages 131-148]
  • Adsorption Influence of Surface Heterogeneities on Complexation of Ethylene with Active Sites of NiMCM-41 Nanocatalyst: A Density Functional Theory Study [Volume 7, Issue 2, 2019, Pages 235-243]
  • Adsorption Proficiency of Graphene Oxide in Adsorption of Zn(II) Ions from Aqueous Solution [Volume 7, Issue 2, 2019, Pages 295-307]
  • Adsorption Phenol Adsorption from Aqueous Phase onto Prepared Low-cost Carbons from Natural Sources: A Comparative Study [Volume 7, Issue 2, 2019, Pages 327-346]
  • Adsorption Molecular Interactions of MeOH and EtOH with Black Phosphorus Monolayer: A Periodic Density Functional Study [Volume 7, Issue 2, 2019, Pages 435-447]
  • Adsorption Adsorption Study of Reactive Violet 8 and Congo Red Dyes onto Aloe Vera Micropowder Impregnated with Cu Atoms as a Natural Modified Sorbent and Related Kinetics and Thermodynamics [Volume 7, Issue 3, 2019, Pages 547-560]
  • Adsorption Adsorption of Anionic Dyes on Poly(N-vinylpyrrolidone) Modified Bentonite [Volume 7, Issue 4, 2019, Pages 731-749]
  • Adsorption Preparation of Phosphorus Doped Graphitic Carbon Nitride Using a Simple Method and Its Application for Removing Methylene Blue [Volume 8, Issue 1, 2020, Pages 31-44]
  • Adsorption Removal of Azo Dye Calcon Using Polyaniline Films Electrodeposited on SnO2 Substrate [Volume 8, Issue 1, 2020, Pages 111-124]
  • Adsorption Adsorption and Removal Characterization of Nitrobenzene by Graphene Oxide Coated by Polythiophene Nanoparticles [Volume 8, Issue 2, 2020, Pages 225-240]
  • Adsorption Kinetic, Isotherm and Mechanism Investigations of the Removal of Basic Violet 3 from Water by Raw Spent Coffee Grounds [Volume 8, Issue 3, 2020, Pages 569-584]
  • Adsorption Kinetic, Isotherm, and Thermodynamic Studies of Methylene Blue Adsorption over Metal-doped Zeolite Nano-adsorbent [Volume 9, Issue 1, 2021, Pages 17-30]
  • Adsorption Removal of Antibiotic Sulfamethazine from Aqueous Media [Volume 9, Issue 2, 2021, Pages 165-180]
  • Adsorption Using Iron-copper Nanocomposites Prepared by Peanut Vine Extracts for the Removal of Pefloxacin and Enrofloxacin from an Aqueous Solution: Isotherms, Kinetics, and Mechanism [Volume 9, Issue 2, 2021, Pages 327-344]
  • Adsorption Functionalized Banana Stalk for Lumefantrine Drug Removal [Volume 9, Issue 3, 2021, Pages 483-507]
  • Adsorption Adsorption of the Methylene Blue Dye in Environmental Water Samples by Biochar Obtained from the Valorization of Argan Shells [Volume 10, Issue 3, 2022, Pages 301-313]
  • Adsorption Optimization of Adsorption Process Parameters of Allura Red Removal Using Nanodiopside/Zn-Fe Layered Double Hydroxide Composite by Response Surface Methodology: A Kinetic, Thermodynamic, and Equilibrium Approach [Volume 11, Issue 1, 2023, Pages 63-78]
  • Adsorption Adsorption of an Azo Dye on Graphene Nanosheet: A Molecular Dynamics Simulation Study [Volume 11, Issue 1, 2023, Pages 117-127]
  • Adsorption Bio-sorption of As(V) from Aqueous Solutions by Thuja Occidentalis Leaves Activated Carbon@Al Embedded Material [Volume 11, Issue 2, 2023, Pages 287-297]
  • Adsorption RSM Optimized Adsorption of Eriochrome Black T Dye onto Alumina Nanoprticles: Isotherm and Kinetics Studies [Volume 11, Issue 2, 2023, Pages 315-326]
  • Adsorption Enhanced Removal of Brilliant Orange by Poly(4-vinylpyridine)/Acid-Activated Bentonite Composite [Volume 11, Issue 2, 2023, Pages 327-339]
  • Adsorption Removal of Formaldehyde from Aqueous Solution Using Low-cost and Reusable Adsorbents [Volume 11, Issue 4, 2023, Pages 853-864]
  • Adsorption Adsorption of Some Gas Molecules on the Surface of Graphene Nanoflakes [Volume 11, Issue 4, 2023, Pages 877-887]
  • Adsorption Elaboration and Characterization of Organo-Ghassoul (Moroccan Clay) as an Adsorbent Using Cationic Surfactant for Anionic Dye Adsorption [Volume 11, Issue 4, 2023, Pages 913-928]
  • Adsorption Spectral, Isotherm, Kinetic, and Thermodynamic Studies of Malachite Green Dye Adsorption from Aqueous Solutions onto Low-cost Treated Kaolin [Volume 12, Issue 1, 2024, Pages 47-60]
  • Adsorption Removal of Acid Blue 113 Textile Dye from Synthetic Aqueous Solution by Adsorption and Flocculation Process Using Cationic Copolymer Poly(n-hexadecyl-4-vinylpyridinium Bromide) [Volume 12, Issue 1, 2024, Pages 61-72]
  • Adsorption Sustainable and Low-cost Hydroxyapatite/Starch for the Removal of Methylene Blue from Aqueous Solutions [Volume 12, Issue 1, 2024, Pages 73-84]
  • Adsorption 817M40T Mild Steel Corrosion Remediation in 0.5 M Hydrochloric Acidic Environment Using Alkaloid and Flavonoid Extracts of Salvia Officinalis [Volume 12, Issue 1, 2024, Pages 121-133]
  • Adsorption Modified Biopolymer as Adsorbent for Methylene Blue Dye Removal [Volume 12, Issue 1, 2024, Pages 189-204]
  • Adsorption The Effect of Alyssum Floribundum Boiss. & Balansa (Brassicaceae) Leaves Extract on the Corrosion of Mild Steel in an Acidic Medium [Volume 12, Issue 2, 2024, Pages 321-332]
  • Adsorption capacity Modification of PVC with 1-Vinylimidazole for CO2/CH4 Separation: Sorption, Permeation and DFT Studies [Volume 8, Issue 4, 2020, Pages 689-703]
  • Adsorption capacity Extraction, Characterization and Methyl Orange Sequestration Capacity of Cellulose Nanocrystals Derived from Sugarcane Bagasse: Experimental and Regression Modelling [Volume 9, Issue 3, 2021, Pages 447-465]
  • Adsorption energy Sulfur Dioxide Internal and External Adsorption on the Single-Walled Carbon Nanotubes: DFT Study [Volume 2, Issue 1, 2014, Pages 30-40]
  • Adsorption energy A First-Principles Study on Interaction between Carbon Nanotubes (10,10) and Gallates Derivatives as Vehicles for Drug Delivery [Volume 5, Issue 2, 2017, Pages 367-375]
  • Adsorption Isotherm Inhibition of Carbon Steel Corrosion in Perchloric Acid Solution by Povidone Iodine [Volume 7, Issue 4, 2019, Pages 837-848]
  • Adsorption Isotherm Experimental and Theoretical Investigation of Corrosion Inhibitive Potentials of (E)-4-hydroxy-3-[(2,4,6-tribromophenyl)diazenyl]benzaldehyde on Mild Steel in Acidic Media [Volume 8, Issue 3, 2020, Pages 399-416]
  • Adsorption Isotherm Thermodynamic, Kinetic, Batch Adsorption and Isotherm Models for the Adsorption of Nickel from an Artificial Solution Using Chloroxylon Swietenia Activated Carbon [Volume 10, Issue 3, 2022, Pages 315-324]
  • Adsorption mechanism Adsorption of Different Dyes from Aqueous Solutions Using Organo-clay Compposites [Volume 8, Issue 4, 2020, Pages 767-787]
  • Adsorption of F- Adsorption of F-, Cl-, Li+ and Na+ on the Exterior Surface of Mg12O12 Nanocage in the Gas Phase and Water Media: A DFT Study [Volume 4, Issue 4, 2016, Pages 591-605]
  • Advanced oxidation Efficient Rapid Deodorization of Mercaptan-Contaminated Soil by Sono-Fenton Process: Response Surface Modeling and Optimization [Volume 7, Issue 1, 2019, Pages 53-64]
  • Advanced oxidation Optimization and Modeling of Complete Removal of N-Compounds from Oil Cut Using Response Surface Methodology (RSM) by CuAlO2/ZSM-12&35 as a New Photocatalyst [Volume 8, Issue 4, 2020, Pages 585-608]
  • Advanced Oxidation Process Efficient Removal of Diclofenac from Pharmaceutical Wastewater Using Impregnated Zeolite Catalyst in Heterogeneous Fenton Process [Volume 7, Issue 1, 2019, Pages 37-52]
  • Aerobic oxidation Catalytic Aerobic Oxidation of Alkenes by Ag@Metal Organic Framework with High Catalytic Activity and Selectivity [Volume 7, Issue 3, 2019, Pages 701-713]
  • AFM Synthesized of Novel Imidazole-derived Schiff Base as a Corrosion Inhibitor of Carbon Steel in Acidic Medium Supported by Electrochemical and DFT Studies [Volume 10, Issue 2, 2022, Pages 179-194]
  • Aggregation Vapor-Pressure Osmometry and Conductivity Determination of Salting-Out Effects in Aqueous Surface-Active Ionic Liquid 1-Dodecyl-3-methylimidazolium Bromide Solutions [Volume 2, Issue 2, 2014, Pages 159-170]
  • Aggregation Investigation of Physicochemical Properties of Aggregated Models of [MIM+]2[C(CN)3-]2 Ionic Liquid: A Theoretical Study [Volume 8, Issue 2, 2020, Pages 343-354]
  • Aggregation Impact of Oil Viscosity on Carbon Stabilization Using Polyisobutylene Succinimide (PIBSI) Dispersant [Volume 12, Issue 1, 2024, Pages 85-93]
  • Ag Nanoparticles Hydrophilicity and antibacterial properties of Ag / TiO2 nanoparticle [Volume 1, Issue 2, 2013, Pages 126-133]
  • Agricultural wastes Application of Agricultural Wastes as a Low-cost Adsorbent for Removal of Heavy Metals and Dyes from Wastewater: A Review Study [Volume 9, Issue 2, 2021, Pages 211-226]
  • AKTS software Thermal Degradation Kinetic Study of a Fuel-rich Energetic Mixture Containing Epoxy Binder [Volume 4, Issue 3, 2016, Pages 369-378]
  • Al12N12 TD-DFT, NBO, AIM, RDG and Thermodynamic Studies of Interactions of 5-Fluorouracil Drug with Pristine and P-doped Al12N12 Nanocage [Volume 8, Issue 3, 2020, Pages 511-527]
  • Al & S doped Interaction of HCN Molecule with the Pristine and Al, S and Al & S Doped Beryllium Oxide Nanotube: A Computational Study [Volume 6, Issue 1, 2018, Pages 31-43]
  • Alanine Investigating the Effect of Doping Graphene with Silicon in the Adsorption of Alanine by Density Functional Theory [Volume 6, Issue 3, 2018, Pages 639-655]
  • Alanine A DFT Study on Adsorption of Alanine on Pristine, Functionalized and Boron and/or Nitrogen Doped Functionalized C60 Fullerenes [Volume 8, Issue 4, 2020, Pages 657-669]
  • Alcohols Measurement of Volumetric and Viscometric Properties of Binary Mixtures of Methyl Tert-butyl Ether (MTBE) + 1-Alcohol from 293.15 to 308.15 K and at Atmospheric Pressure [Volume 4, Issue 4, 2016, Pages 673-691]
  • Alcohol + salt Modeling of liquid–liquid equilibria of aqueous alcohol + salt systems using amodified NRTL [Volume 2, Issue 1, 2014, Pages 96-115]
  • Aliphatic alcohol Theoretical Investigation of the Effect of (8,0) Single-walled Carbon Nanotubes on Acidity of Aliphatic Alcohols [Volume 4, Issue 2, 2016, Pages 173-181]
  • Alizarin red-S Electrochemical Sensor for the Determination of Alizarin Red-S at Non-ionic Surfactant Modified Carbon Nanotube Paste Electrode [Volume 7, Issue 3, 2019, Pages 523-533]
  • Alkali halides Design, Construction and Calibration of a Laser Ionization Time-of-Flight Mass Spectrometer [Volume 2, Issue 2, 2014, Pages 202-216]
  • Alkaline catalyst The Physical Properties of Biodiesel-Diesel Fuel Produced via Transesterification Process from Different Oil Sources [Volume 7, Issue 2, 2019, Pages 415-424]
  • Alkanes Heat-Refluxextraction (HRE) and GC/MS Analysis of Polycyclic Aromatic Hydrocarbons and Their Nitrted Derivatives Adsorbed on Diesel Combustion Engine Prticles [Volume 11, Issue 2, 2023, Pages 203-219]
  • Alkanolamine Application of GMA Equation of State to Study Thermodynamic Properties of 2-Amino-2-methyl-1-propanol as an Efficient Absorbent for CO2 [Volume 5, Issue 2, 2017, Pages 317-328]
  • Allura Red Optimization of Adsorption Process Parameters of Allura Red Removal Using Nanodiopside/Zn-Fe Layered Double Hydroxide Composite by Response Surface Methodology: A Kinetic, Thermodynamic, and Equilibrium Approach [Volume 11, Issue 1, 2023, Pages 63-78]
  • Al/NiO system Molecular Dynamics Simulation of Al/NiO Thermite Reaction Using Reactive Force Field (ReaxFF) [Volume 5, Issue 2, 2017, Pages 221-237]
  • Aloe vera Adsorption Study of Reactive Violet 8 and Congo Red Dyes onto Aloe Vera Micropowder Impregnated with Cu Atoms as a Natural Modified Sorbent and Related Kinetics and Thermodynamics [Volume 7, Issue 3, 2019, Pages 547-560]
  • Alpha helix Secondary Structure Effects on the Acidity of Histidine and Lysine-Based Peptides Model; A Theoretical Study [Volume 3, Issue 1, 2015, Pages 67-77]
  • Alumina A Theoretical Study of Nonlinear Optical Features of Alumina Nanostructures with the Groups III and VI Dopants [Volume 4, Issue 4, 2016, Pages 627-641]
  • Aluminum Enhanced Procedure for Fabrication of an Ultrahydrophobic Aluminum Alloy Surface using Fatty Acid Modifiers [Volume 5, Issue 2, 2017, Pages 339-357]
  • Aluminum Interactions of Deferasirox as a Chelating Agent with Al and Ga Cations: A Theoretical Study on the [M(DFX)2]3- Nanostructures [Volume 6, Issue 1, 2018, Pages 67-82]
  • Aluminum alloys Detecting pitting corrosion and its severity using wavelet entropy in electrochemical noise measurement [Volume 2, Issue 1, 2014, Pages 116-122]
  • Aluminum Sulfate Density, Viscosity, Refractive Index and Excess Properties of Binary and Ternary Solutions of Poly (Ethylene Glycol), Sulfate Salts and Water at 298.15 K [Volume 7, Issue 4, 2019, Pages 859-884]
  • Alyssum floribundum leaves The Effect of Alyssum Floribundum Boiss. & Balansa (Brassicaceae) Leaves Extract on the Corrosion of Mild Steel in an Acidic Medium [Volume 12, Issue 2, 2024, Pages 321-332]
  • Alzheimer QSAR, Docking and Molecular Dynamics Studies on the Piperidone-grafted Mono- and Bis-spiro-oxindole-hexahydropyrrolizines as Potent Butyrylcholinesterase Inhibitors [Volume 6, Issue 4, 2018, Pages 685-711]
  • Alzheimer Calculation of Structural Parameters and Diffusion Coefficient of Sodium Dodecyl Sulfate at Concentrations Lower and Higher Than the Critical Micelle Concentration in the Presence of Amyloid-Beta Peptide [Volume 10, Issue 4, 2022, Pages 571-579]
  • Alzheimer’s disease Tacrine-Flavonoid Quercetin Hybride as a MTDL Ligand against Alzheimer’s Disease with Metal Chelating and AChE, BChE, AChE-induced Aβ Aggregation Inhibition Properties: A Computational Study [Volume 7, Issue 3, 2019, Pages 561-579]
  • Alzheimer’s disease Benzimidazole Derivatives in Identifying Novel Acetylcholinesterase Inhibitors: A Combination of 3D-QSAR, Docking and Molecular Dynamics Simulation [Volume 10, Issue 2, 2022, Pages 237-249]
  • Amaranth Response Surface Methodology for Optimizing Adsorption Process Parameters of Amaranth Removal Using Magnetic Layer Double Hydroxide (Fe3O4/ZnFe-LDH) [Volume 7, Issue 1, 2019, Pages 131-148]
  • Amberlite IRA-68 Adsorption of Vanadium Using Amberlite IRA-68 Resin from Aqueous Solution: Kinetics and Thermodynamics Studies [Volume 11, Issue 4, 2023, Pages 929-942]
  • Ambient pressure drying Structural, Morphological and Physiochemical Analysis of SiC8H20O4/C2H5O/C7H16 Modified Mesoporous Silica Aerogels [Volume 11, Issue 1, 2023, Pages 1-8]
  • Ambroxol hydrochloride Comparative Kinetic Study of Palladium(II) Catalyzed and Uncatalyzed Oxidation of Ambroxol Hydrochloride with Potassium Permanganate in an Aqueous Alkaline Medium: A Mechanistic Approach [Volume 11, Issue 4, 2023, Pages 865-875]
  • Amidogen radical Reaction Dynamics of NH2+OH on an Interpolated Potential Energy Surface [Volume 2, Issue 1, 2014, Pages 53-67]
  • Amines Excess Speed of Sound and Excess Molar Isentropic Compressibility in Binary Mixtures of Selected Amines in 2-Methoxy Ethanol at Various Temperatures [Volume 10, Issue 3, 2022, Pages 379-390]
  • Amino acid Investigation of Volumetric and Acoustic Properties of Ionic Liquid + Amino Acid + Water Systems at Different Temperatures [Volume 6, Issue 3, 2018, Pages 531-546]
  • Amino acid Nano Particle CORONA Formation; Rather than Proteins [Volume 7, Issue 4, 2019, Pages 849-857]
  • Amino acids Electrical Conductivity Studies of 1-Butyl-3-methylimidazolium Salicylate as an Active Pharmaceutical Ingredient Ionic Liquid (API-IL) in Aqueous Amino Acids Solutions [Volume 7, Issue 1, 2019, Pages 217-234]
  • Aminophenol QM/MM Study on the Mechanism of Aminophenol Oxidation by Functionalized β-Cyclodextrin as Oxidase Nanomimic [Volume 4, Issue 4, 2016, Pages 519-530]
  • Amoxicillin Sono-synthesis of Novel Magnetic Nanocomposite (Ba-α-Bi2O3-γ-Fe2O3) for the Solar Mineralization of Amoxicillin in an Aqueous Solution [Volume 5, Issue 2, 2017, Pages 253-268]
  • Amphiphiles Amphiphilic Block Copolymer Nano-micelles: Effect of Length Ratio of the Hydrophilic Block [Volume 3, Issue 3, 2015, Pages 239-245]
  • Amphiphilic Non-cross-linked Amphiphilic Copolymer Coated Palladium Nanoparticles: A Highly Efficient and Reusable Catalyst for Aerobic Oxidation of Alcohols [Volume 7, Issue 4, 2019, Pages 823-835]
  • Ampicillin Coupling Interaction of Ampicillin Drug with Ninhydrin in Aqueous Acidic Medium: Kinetics and Mechanistic Studies [Volume 12, Issue 1, 2024, Pages 145-156]
  • Anatase Fabrication and Characterization of Rutile TiO2 Nanocrystals by Water Soluble Precursor [Volume 3, Issue 4, 2015, Pages 293-298]
  • Anatase A Novel Poly(vinyl alcohol) Post-precipitation Template Synthesis and Property Tuning of Photoactive Mesoporous Nano-TiO2 [Volume 8, Issue 2, 2020, Pages 281-295]
  • Anatase and rutile DFT Study on Oxygen-Vacancy Stability in Rutile/Anatase TiO2: Effect of Cationic Substitutions [Volume 6, Issue 3, 2018, Pages 547-563]
  • Anchoring Director Structures in a Chiral Nematic Slab: Threshold Field and Pitch Variations [Volume 1, Issue 2, 2013, Pages 134-141]
  • Aniline-water complex DFT-PBE, DFT-D, and MP2 Studies on the H2O•••HNH and HOH•••NH2 Hydrogen Bonds in Water-Aniline Complexes [Volume 4, Issue 1, 2016, Pages 95-107]
  • Anion effect Metal-Containing Ionic Liquids: Anion and Cation Contribution on Thermo-Physical Parameters [Volume 12, Issue 1, 2024, Pages 175-187]
  • Anionic Adsorption of Different Dyes from Aqueous Solutions Using Organo-clay Compposites [Volume 8, Issue 4, 2020, Pages 767-787]
  • Anionic Surfactant A Sensitive Novel Approach towards the Detection of 8-Hydroxyquinoline at Anionic Surfactant Modified Carbon Nanotube Based Biosensor: A Voltammetric Study [Volume 7, Issue 4, 2019, Pages 813-822]
  • Anion˗π Anion˗π and Intramolecular Hydrogen Bond Interactions in the Various Complexes of 1,3,5-Triamino-2,4,6-trinitrobenzene with H-, F-, Cl- and Br- Anions [Volume 6, Issue 2, 2018, Pages 251-262]
  • Anisotropy Influence of Nanoscopic Micellar Confinements and Rotational Dynamics of Anticancer Drug Doxorubicin [Volume 11, Issue 3, 2023, Pages 471-479]
  • ANN Empirical Correlations and an Artificial Neural Network Approach to Estimate Saturated Vapor Pressure of Refrigerants [Volume 5, Issue 2, 2017, Pages 281-292]
  • Anodization A Comprehensive Study on Synthesis Parameters of TiO2 Nanotube Arrays: The Effects on Morphology and Photocatalytic Degradation of Para-NitroPhenol [Volume 9, Issue 2, 2021, Pages 261-279]
  • Anthocyanins Study on the Molecular Interaction of Anthocyanin-rich Eggplant Extracts with Bovine α-Lactalbumin [Volume 10, Issue 4, 2022, Pages 485-494]
  • Antiandrogens In-Silico Molecular Docking, Validation, Drug-Likeness, and ADMET Studies of Antiandrogens to Use in the Fight against SARS-CoV-2 [Volume 11, Issue 1, 2023, Pages 9-21]
  • Antibacterial Activity Antibacterial Activity of Short-Chained 1-Alkyl-3-methylimidazolium Bis(trifluoromethylsulfonyl) Imide Ionic Liquids [Volume 2, Issue 2, 2014, Pages 260-269]
  • Antibacterial Activity Preparation, Characterization and Antibacterial Activity of Manganese Oxide Nanoparticles [Volume 3, Issue 3, 2015, Pages 197-204]
  • Antibiotic SMT Removal of Antibiotic Sulfamethazine from Aqueous Media [Volume 9, Issue 2, 2021, Pages 165-180]
  • Antibody-Antigen docking Monoclonal Antibodies as Potential Treatment Drugs for Nsp15 and 3CLpro Proteins [Volume 11, Issue 3, 2023, Pages 623-629]
  • Anticancer Dual-Target Anticancer Drug Candidates: Rational Design and Simulation Studies [Volume 3, Issue 2, 2015, Pages 125-143]
  • Anticancer Studies on the Interaction between Derivatives of 9-Aacridinyl Amino Acid as Anticancer Drugs and Functionalized Carbon Nanotubes: ONIOM2-PCM Approach [Volume 9, Issue 1, 2021, Pages 99-106]
  • Anti-cancer drug DFT Study of N-hydroxyurea Adsorption Behavior onto Pristine and Iron-doped Single-walled Carbon Nanotube [Volume 6, Issue 1, 2018, Pages 115-132]
  • Anticancer drugs Quantum Mechanical Study of some Intercalating and Groove Binding Anticancer Drugs with AT and GC Base Pair of DNA Nucleobase [Volume 9, Issue 4, 2021, Pages 673-688]
  • Anticancer properties An Exploration of the Antiproliferative Potential of Chalcones and Dihydropyrazole Derivatives in Prostate Cancer via Androgen Receptor: Combined QSAR, Machine Learning, and Molecular Docking Techniques [Volume 10, Issue 2, 2022, Pages 211-223]
  • Anti-ferromagnetic Theoretical Calculations of the Effect of Finite Length on the Structural Properties of Pristine and Nitrogen-doped Carbon Nanotubes [Volume 4, Issue 3, 2016, Pages 451-467]
  • Antifungal Modified Thymidine Derivatives as Potential Inhibitors of SARS-CoV: PASS, In Vitro Antimicrobial, Physicochemical and Molecular Docking Studies [Volume 10, Issue 3, 2022, Pages 391-409]
  • Anti-HIV drug A Thermodynamic Study of the Interactions between Acetamide Derivatives and PCA-PEG-PCA Copolymers: ONIOM Calculations [Volume 2, Issue 2, 2014, Pages 131-136]
  • Antimalarial drug Antimalarial Activity of some Conjugated Arylhydrazones: Ab Initio Calculation of Nuclear Quadrupole Coupling Constants (NQCC) [Volume 5, Issue 4, 2017, Pages 681-689]
  • Antimicrobial Synthesis, Antifungal Activity, and Molecular Docking Studies of Some New Di-O-Isopentanoyl Glucopyranosides [Volume 11, Issue 1, 2023, Pages 149-157]
  • Antimicrobial activity Antimicrobial Investigation of CuO and ZnO Nanoparticles Prepared by a Rapid Combustion Method [Volume 7, Issue 4, 2019, Pages 799-812]
  • Antioxidant Theoretical Study on Glycosyl Group Effect on Antioxidant Ability of Chrysin Bioflavonoid [Volume 4, Issue 4, 2016, Pages 643-654]
  • Anti-tuberculosis A Novel QSAR Model for the Evaluation and Prediction of (E)-N’-Benzylideneisonicotinohydrazide Derivatives as the Potent Anti-mycobacterium Tuberculosis Antibodies Using Genetic Function Approach [Volume 6, Issue 3, 2018, Pages 479-492]
  • Anti-tumour agent In Silico Studies on the Molecular Geometry, FMO, Mulliken Charges, MESP, ADME and Molecular Docking Prediction of Pyrogallol Carboxaldehydes as Potential Anti-tumour Agents [Volume 12, Issue 2, 2024, Pages 305-320]
  • Antiviral compounds Molecular Analysis of Potential Inhibitors Against SARS-CoV-2: Computational Approach [Volume 11, Issue 4, 2023, Pages 725-734]
  • Antoine An Efficient Method for Correlation of Vapor Pressure of Gaseous Compounds Containing C-H-O [Volume 3, Issue 4, 2015, Pages 279-291]
  • Apelblat model Solubility of Pharmaceutical Compounds in Organic Solvents Using Artificial Nural Network and Correlation Model [Volume 12, Issue 3, 2024, Pages 567-578]
  • API RP-14E Beyond the Limitations of API RP-14E Erosional Velocity -A Field Study for Gas Condensate Wells [Volume 6, Issue 1, 2018, Pages 193-207]
  • Apparent molar volume Volumetric, Acoustic and Conductometric Studies of Acetaminophen in Aqueous Ionic Liquid, 1-Octyl-3-methylimidazolium Bromide at T = 293.15-308.15 K [Volume 4, Issue 1, 2016, Pages 119-141]
  • Approach Empirical Correlations and an Artificial Neural Network Approach to Estimate Saturated Vapor Pressure of Refrigerants [Volume 5, Issue 2, 2017, Pages 281-292]
  • APTSC-PPTSC DFT Studies and Topological Analyses of Electron Density on Acetophenone and Propiophenone Thiosemicarbazone Derivatives as Covalent Inhibitors of Falcipain-2, a Major Plasmodium Falciparum Cysteine Protease [Volume 5, Issue 4, 2017, Pages 795-817]
  • Aqueous solution Investigation of Volumetric and Acoustic Properties of Ionic Liquid + Amino Acid + Water Systems at Different Temperatures [Volume 6, Issue 3, 2018, Pages 531-546]
  • Aqueous solution Solamen Vaillanti Mollusk Powder as an Efficient Biosorbent for Removing Cobalt Ions from Aqueous Solution: Kinetic and Equilibrium Studies [Volume 11, Issue 1, 2023, Pages 159-169]
  • Aqueous solutions Prediction of DES’ Vapor Pressure Using a New Corresponding State Model [Volume 8, Issue 3, 2020, Pages 471-496]
  • Aqueous solutions of polymer + electrolyte Modeling the Thermodynamic Properties of Solutions Containing Polymer and Electrolyte with New Local Composition Model [Volume 5, Issue 3, 2017, Pages 505-518]
  • Aqueous two-phase system The Effect of pH on the Liquid-liquid Equilibrium for a System Containing Polyethylene Glycol Di-methyl Ether and Tri-potassium Citrate and its Application for Acetaminophen Separation [Volume 5, Issue 3, 2017, Pages 555-567]
  • Arachidonoyl dopamine Putative Binding Sites of Dopamine and Arachidonoyl Dopamine to Beta-lactoglobulin: A Molecular Docking and Molecular Dynamics Study [Volume 5, Issue 2, 2017, Pages 205-219]
  • Argan shells Adsorption of the Methylene Blue Dye in Environmental Water Samples by Biochar Obtained from the Valorization of Argan Shells [Volume 10, Issue 3, 2022, Pages 301-313]
  • Aromatic ammonium salts Conductometric Study of the Thermodynamics of Micellization of Sodium dodecylsulfate (SDS) in the Presence of Some Aromatic Ammonium Salts [Volume 5, Issue 3, 2017, Pages 531-540]
  • Aromaticity and RAHB Anion˗π and Intramolecular Hydrogen Bond Interactions in the Various Complexes of 1,3,5-Triamino-2,4,6-trinitrobenzene with H-, F-, Cl- and Br- Anions [Volume 6, Issue 2, 2018, Pages 251-262]
  • Arrhenius-type equation Viscosity-Temperature Stability, Chemical Characterization, and Fatty Acid Profiles of some Brands of Refined Vegetable Oil [Volume 8, Issue 3, 2020, Pages 417-427]
  • ARSENIC Liquid Membrane-based Extraction of Arsenic: Part 2-Optimization through Statistical and Machine Learning Approach [Volume 12, Issue 2, 2024, Pages 525-547]
  • Arsenite Functionalized Single-atom Thickness Boron Nitride Membrane for Separation of Arsenite Ion from Water: A Molecular Dynamics Simulation Study [Volume 8, Issue 3, 2020, Pages 543-556]
  • Arthrobacter globiformis An Approach to Increase the Efficiency of Uricase by Computational Mutagenesis [Volume 11, Issue 3, 2023, Pages 481-491]
  • Artificial Neural Network Prediction and Optimization of the Effects of Combining Ultrasonic Waves and Solvent on the Viscosity of Residue Fuel Oil by ANN and ANFIS [Volume 4, Issue 3, 2016, Pages 333-353]
  • Artificial Neural Network The Application of Hybrid RSM/ANN Methodology of an Iron-based Catalyst Performance in Fischer-Tropsch Synthesis [Volume 5, Issue 3, 2017, Pages 585-600]
  • Artificial Neural Network PVT Properties of Pure Lubricants Using Equations of State and Artificial Intelligence [Volume 7, Issue 1, 2019, Pages 181-200]
  • Artificial Neural Network QSAR Study of New Compounds Based on 1,2,4-Triazole as Potential Anticancer Agents [Volume 8, Issue 1, 2020, Pages 125-137]
  • Artificial Neural Network Deactivation of Iron Fischer-Tropsch Catalyst in the Presence of Different Promoters: Model Determination and Parameter Estimation Using a Hybrid ANN/GPLE Technique [Volume 11, Issue 4, 2023, Pages 761-770]
  • Artificial neural ‎networks Solubility of Pharmaceutical Compounds in Organic Solvents Using Artificial Nural Network and Correlation Model [Volume 12, Issue 3, 2024, Pages 567-578]
  • ASA Conductometric Analysis of some Ionic Liquids, 1-Alkyl-3-methylimidazolium Bromide with Aspirin in Acetonitrile Solutions [Volume 4, Issue 3, 2016, Pages 355-368]
  • Ascorbic acid Electrochemical Evaluation of the Catalytic Effect of Natural Phosphate on the Oxidation of Aascorbic Acid: Analytical Application in Human Blood [Volume 9, Issue 1, 2021, Pages 85-98]
  • Ascorbic acid Quantum Calculations of some Electronic and Structural Parameters for the System of Vitamin C and Different Sulfoxide Solvents [Volume 11, Issue 3, 2023, Pages 643-651]
  • Ash removal Simultaneous Ash and Sulphur Removal from Bitumen Using Column Flotation Technique: Experiments, RSM Modeling and Optimization [Volume 5, Issue 1, 2017, Pages 195-204]
  • As(III) Liquid Membrane-based Extraction of Arsenic: Part 1 - Experimental Study and Mathematical Modelling [Volume 12, Issue 2, 2024, Pages 483-504]
  • Aspergillus oryzae-based liquid lipase Valorization of Rice Bran Fatty Acid Distillate: A Green Approach to Ethanol-Based Biodiesel Production Using Eversa® Transform as a Recyclable Catalyst [Volume 12, Issue 2, 2024, Pages 263-272]
  • As(V) Bio-sorption of As(V) from Aqueous Solutions by Thuja Occidentalis Leaves Activated Carbon@Al Embedded Material [Volume 11, Issue 2, 2023, Pages 287-297]
  • As(V) Liquid Membrane-based Extraction of Arsenic: Part 1 - Experimental Study and Mathematical Modelling [Volume 12, Issue 2, 2024, Pages 483-504]
  • AT Quantum Mechanical Study of some Intercalating and Groove Binding Anticancer Drugs with AT and GC Base Pair of DNA Nucleobase [Volume 9, Issue 4, 2021, Pages 673-688]
  • AT DFT Study on the Carcinogenicity of some Common Polycyclic Aromatic Hydrocarbons (PAH) [Volume 11, Issue 3, 2023, Pages 537-548]
  • Atmospheric lifetime Ab Initio Theoretical Studies on the Kinetics of the Hydrogen Abstraction Reaction of Hydroxyl Radical with CH3CH2OCF2CHF2 (HFE-374pc2) [Volume 4, Issue 3, 2016, Pages 417-425]
  • Atmospheric oxidation Computational Study of the Mechanism, Reaction Rate and Thermochemistry of Atmospheric Oxidation of Methylamine with Singlet Oxygen [Volume 4, Issue 2, 2016, Pages 191-208]
  • Atomic charge Theoretical Study of the Correlation between 14N NQCC and Its Partial Atomic Charge in Amino Derivatives of Adamantane [Volume 6, Issue 1, 2018, Pages 133-142]
  • Atomic force microscopy The Effect of Substrate on Structural and Electrical Properties of Cu3N Thin Film by DC Reactive Magnetron Sputtering [Volume 5, Issue 3, 2017, Pages 497-504]
  • ATPS Phase Equilibria of PEG/Sulfate Salt Aqueous Two-Phase Systems: Effects of pH and Molecular Weight of Polymer [Volume 9, Issue 3, 2021, Pages 345-360]
  • Au nanoparticle Synthesis of Au Nanoparticles by Thermal, Sonochemical and Electrochemical Methods: Optimization and Characterization [Volume 3, Issue 1, 2015, Pages 24-34]
  • Average roughness Physical Study of PVA Filled with Carbon Nanotube and Nano Carbon with Roughness Morphology [Volume 11, Issue 4, 2023, Pages 747-760]
  • AZ Theoretical Investigation on Inclusion Complex of (s)-2-Isopropyl-1-(o-nitrophenyl) Sulfonyl) Aziridine with β-Cyclodextrin [Volume 10, Issue 1, 2022, Pages 69-87]
  • Azo dye Removal of Azo Dye Calcon Using Polyaniline Films Electrodeposited on SnO2 Substrate [Volume 8, Issue 1, 2020, Pages 111-124]
  • Azo dye Treatment and Degradation of Azo Dye Waste Industry by Electro-Fenton Process [Volume 10, Issue 4, 2022, Pages 495-504]
  • Azo dye Adsorption of an Azo Dye on Graphene Nanosheet: A Molecular Dynamics Simulation Study [Volume 11, Issue 1, 2023, Pages 117-127]
  • Azo N-ester-1 Effect of Alkyl Tail on the Visible Spectra and Order Parameters S of some Azo N-Ester-1,8-naphthalimide(ANEN) Disperse Dyestuff [Volume 3, Issue 3, 2015, Pages 229-237]

B

  • B12 pH Sensitive Hydrogel Based Acrylic Acid for Controlled Drug Release [Volume 5, Issue 1, 2017, Pages 185-193]
  • B12N12 Sensing Performance of Sc-doped B12N12 Nanocage for Detecting Toxic Cyanogen Gas: A Computational Study [Volume 4, Issue 3, 2016, Pages 315-332]
  • B12N12 Chemisorption of Pyrimidine Nucleotide Onto Exterior Surface of Pristine B12N12 Nanocluster: A Theoretical Study [Volume 6, Issue 1, 2018, Pages 1-14]
  • B12N12 The Electronic Response of Pristine, Si, and Al-doped B12N12 Nanocage to an Ecstasy Drug: A DFT Study [Volume 9, Issue 4, 2021, Pages 623-636]
  • B12N12 nanocage HNO Detection by Nanosized B12N12 Cage: A DFT/TDDFT Study [Volume 4, Issue 4, 2016, Pages 693-706]
  • B12P12 The Effects of the Ionic Field Strength of Be2+, Mg2+, and Ca2+ and a Static Electric Field (SEF) on the Interaction Between Prothionamide and B12P12 Nanocage: A DFT and TD-DFT Study [Volume 10, Issue 1, 2022, Pages 89-104]
  • B36 nanocluster Detection of Cyanogen Halides by B36 Nanocluster: DFT Study [Volume 9, Issue 1, 2021, Pages 107-121]
  • B3LYP Experimental and Computational Investigations on the Molecular Structure, Vibrational Spectra, Electronic Properties, FMO and MEP Analyses of 4,6-Bis(4-Fluorophenyl)-5,6-dihydropyrimidin-2(1H)-one: A DFT Insight [Volume 8, Issue 4, 2020, Pages 671-687]
  • B3LYP Quantum Calculations of some Electronic and Structural Parameters for the System of Vitamin C and Different Sulfoxide Solvents [Volume 11, Issue 3, 2023, Pages 643-651]
  • B9 pH Sensitive Hydrogel Based Acrylic Acid for Controlled Drug Release [Volume 5, Issue 1, 2017, Pages 185-193]
  • Bacillus fastidious An Approach to Increase the Efficiency of Uricase by Computational Mutagenesis [Volume 11, Issue 3, 2023, Pages 481-491]
  • Banana stalk activated carbon Functionalized Banana Stalk for Lumefantrine Drug Removal [Volume 9, Issue 3, 2021, Pages 483-507]
  • Band gap Theoretical Study on Structure and Electronic Properties of Aniline-5-Membered Heterocyclic Co-oligomers [Volume 6, Issue 3, 2018, Pages 463-478]
  • Band gap Structural and Electronic Properties of Novel π-Conjugated Aniline-based Oligomers: A Computational Study [Volume 6, Issue 3, 2018, Pages 583-598]
  • Bandgap pH Effect on the Size of Graphene Quantum dot Synthesized by Using Pulse Laser Irradiation [Volume 6, Issue 2, 2018, Pages 237-250]
  • Bandgap energy Antimicrobial Investigation of CuO and ZnO Nanoparticles Prepared by a Rapid Combustion Method [Volume 7, Issue 4, 2019, Pages 799-812]
  • B-C59 nanocage Bonding of Phosphoramides onto B-C59 Nanostructure as Drug Delivery Systems [Volume 6, Issue 1, 2018, Pages 15-29]
  • Beer-Lambert law Triton™ X-100 Behaves Similarly to Tyrosine-Containing and Tryptophan-Free Proteins in UV-Vis Spectroscopy [Volume 9, Issue 2, 2021, Pages 253-260]
  • Bentonite Adsorption Removal of Humic Acid from Water Using a Modified Algerian Bentonite [Volume 6, Issue 3, 2018, Pages 613-625]
  • Bentonite Adsorption of Anionic Dyes on Poly(N-vinylpyrrolidone) Modified Bentonite [Volume 7, Issue 4, 2019, Pages 731-749]
  • Bentonite Flocculation of Clay Suspensions Using Copolymers Based on Acrylamide and Biopolymer [Volume 11, Issue 2, 2023, Pages 221-230]
  • Benzaldehyde Deposition-Precipitation Synthesized CuCo/Activated Carbon Catalysts for Benzyl Alcohol Oxidation Reaction [Volume 9, Issue 3, 2021, Pages 361-371]
  • Benzalkonium Ibuprofenate Molecular Interaction of Benzalkonium Ibuprofenate and its Discrete Ingredients with Human Serum Albumin [Volume 1, Issue 2, 2013, Pages 111-116]
  • Benzimidazole Benzimidazole Derivatives in Identifying Novel Acetylcholinesterase Inhibitors: A Combination of 3D-QSAR, Docking and Molecular Dynamics Simulation [Volume 10, Issue 2, 2022, Pages 237-249]
  • Benzimidazole-Carbonamide derivatives Computational Investigation of Polo-like Kinase 1 (plk1): Inhibitive Potential of Benzimidazole-Carbonamide Derivatives for Cancer Treatment [Volume 12, Issue 2, 2024, Pages 333-348]
  • Benzothiazole hydrazones Antimalarial Activity of some Conjugated Arylhydrazones: Ab Initio Calculation of Nuclear Quadrupole Coupling Constants (NQCC) [Volume 5, Issue 4, 2017, Pages 681-689]
  • Benzyl alcohol Statistical Optimization of Liquid Phase Oxidation of Benzyl Alcohol over Efficient Cobalt Promoted Vanadyl Pyrophosphate Catalysts by Box-Behnken Design [Volume 3, Issue 2, 2015, Pages 111-123]
  • Benzyl alcohol Deposition-Precipitation Synthesized CuCo/Activated Carbon Catalysts for Benzyl Alcohol Oxidation Reaction [Volume 9, Issue 3, 2021, Pages 361-371]
  • BeONTs Interaction of HCN Molecule with the Pristine and Al, S and Al & S Doped Beryllium Oxide Nanotube: A Computational Study [Volume 6, Issue 1, 2018, Pages 31-43]
  • Beta-amylase Influence of a Novel Magnetic Recoverable Support on Kinetic, Stability and Activity of Beta-amylase Enzyme [Volume 4, Issue 2, 2016, Pages 271-283]
  • Beta-Carotene Quality Parameters, Empirical and Kinetic Models of Lycopene and Beta-carotene Bioformation in Tomatoes (Solanum lycopersicum) [Volume 10, Issue 1, 2022, Pages 151-162]
  • Beta sheet Secondary Structure Effects on the Acidity of Histidine and Lysine-Based Peptides Model; A Theoretical Study [Volume 3, Issue 1, 2015, Pages 67-77]
  • Bethe-Salpeter equation Halogenated Graphdiyne and Graphyne Single Layers: A Systematic Study [Volume 4, Issue 2, 2016, Pages 231-243]
  • BET isotherm The Modification of the BET Surface Area by Considering the Excluded Area of Adsorbed Molecules [Volume 10, Issue 2, 2022, Pages 173-177]
  • Bimetallic catalysts Why do Bimetallic Clusters have more Chemical Reactivity? Study the VnNim (2 ≤ n + m ≤ 6) Clusters as the Nano Species [Volume 7, Issue 4, 2019, Pages 715-729]
  • Bimetallic clusters Why do Bimetallic Clusters have more Chemical Reactivity? Study the VnNim (2 ≤ n + m ≤ 6) Clusters as the Nano Species [Volume 7, Issue 4, 2019, Pages 715-729]
  • Bimolecular Thermodynamics and Kinetics of Spiro-Heterocycle Formation Mechanism: Computational Study [Volume 5, Issue 3, 2017, Pages 439-446]
  • Bimolecular reactions Mechanism Discrimination for Bimolecular Reactions: Revisited with a Practical Hydrogenation Case Study [Volume 5, Issue 4, 2017, Pages 727-736]
  • Binary Mixture Study of Volumetric Properties of N,N-Dimethyl Acetamide and 1-Alkanols Binary Mixtures at 298.15 K [Volume 4, Issue 2, 2016, Pages 183-189]
  • Binary systems Nicotinamide Solubility in Ethanol + Acetonitrile at Different Temperatures [Volume 12, Issue 1, 2024, Pages 33-45]
  • Binding constant The Influence of 6-Shogaol, a Therapeutic Agent of Zingiber Officinale, on the Interaction of Ciprofloxacin with Bovine Serum Albumin [Volume 9, Issue 3, 2021, Pages 525-538]
  • Binding energy Theoretical Calculations of the Effect of Finite Length on the Structural Properties of Pristine and Nitrogen-doped Carbon Nanotubes [Volume 4, Issue 3, 2016, Pages 451-467]
  • Binding free energy Molecular Dynamics Simulation and Free Energy Studies on the Interaction of Salicylic Acid with Human Serum Albumin (HSA) [Volume 5, Issue 3, 2017, Pages 483-496]
  • Binding site Putative Binding Sites of Dopamine and Arachidonoyl Dopamine to Beta-lactoglobulin: A Molecular Docking and Molecular Dynamics Study [Volume 5, Issue 2, 2017, Pages 205-219]
  • Bingham relation Estimation of Viscosities and Their Deviations in Organic Liquid Mixtures at 303.15 K-A Comparative Study [Volume 8, Issue 2, 2020, Pages 365-372]
  • Bioactivity The Effects of Silicon Oxide on the Structure, Physical Chemistry Properties, and Bioactivity of Phosphate Glasses Containing Sodium, Strontium, and Titanium Oxides [Volume 10, Issue 1, 2022, Pages 1-12]
  • Biocatalyst QM/MM Study on the Mechanism of Aminophenol Oxidation by Functionalized β-Cyclodextrin as Oxidase Nanomimic [Volume 4, Issue 4, 2016, Pages 519-530]
  • Biochar Adsorption of the Methylene Blue Dye in Environmental Water Samples by Biochar Obtained from the Valorization of Argan Shells [Volume 10, Issue 3, 2022, Pages 301-313]
  • Biodegradable Nano-based Biodegradable Food Packaging of Vitis-Vinifera Synthesized by PVA/ZnO Nanocomposites [Volume 11, Issue 2, 2023, Pages 449-458]
  • Biodegradation Preparation and Characterization of a Novel Biodegradable Epoxy Resin Modified with Epoxidized Oleic Acid [Volume 5, Issue 4, 2017, Pages 629-641]
  • Biodegradation Optimization of Biodegradation of Long Chain n-Alkanes by Rhodococcus sp. Moj-3449 Using Response Surface Methodology [Volume 8, Issue 1, 2020, Pages 45-59]
  • Biodiesel Kinetic Monte Carlo Study of Biodiesel Production through Transesterification of Brassica Carinata Oil [Volume 5, Issue 2, 2017, Pages 329-338]
  • Biodiesel Biodiesel Production from Chicken Fat Using Nano-calcium Oxide Catalyst and Improving the Fuel Properties via Blending with Diesel [Volume 6, Issue 3, 2018, Pages 521-529]
  • Biodiesel Improvement of Methyl Ester Production through Modified Rice Bran as a Heterogeneous Catalyst [Volume 6, Issue 4, 2018, Pages 805-814]
  • Biodiesel Synthesis of KOH@CaO Catalyst by Sol-gel Method for Highly Efficient Biodiesel Production from Olive Oil [Volume 9, Issue 1, 2021, Pages 43-55]
  • Biodiesel Performance and Emissions Investigation of Biodiesel Made from Neem Oil [Volume 12, Issue 1, 2024, Pages 11-19]
  • Biodiesel-diesel mixture The Physical Properties of Biodiesel-Diesel Fuel Produced via Transesterification Process from Different Oil Sources [Volume 7, Issue 2, 2019, Pages 415-424]
  • Biodiesel production The Physical Properties of Biodiesel-Diesel Fuel Produced via Transesterification Process from Different Oil Sources [Volume 7, Issue 2, 2019, Pages 415-424]
  • Biodiesel production Valorization of Rice Bran Fatty Acid Distillate: A Green Approach to Ethanol-Based Biodiesel Production Using Eversa® Transform as a Recyclable Catalyst [Volume 12, Issue 2, 2024, Pages 263-272]
  • Biofilm Identification of a Potential Thiazole Inhibitor Against Biofilms by 3D QSAR, Molecular Docking, DFT Analysis, MM-PBSA Binding Energy Calculations, and Molecular Dynamics Simulation [Volume 11, Issue 2, 2023, Pages 369-389]
  • Bioinformatics tools In Silico Analysis Predicting the Structural and Functional Effects of High-risk nsSNPs in the Human GCK Gene Associated with Gestational Diabetes [Volume 11, Issue 3, 2023, Pages 653-673]
  • Biological compound Quantum Calculations of some Electronic and Structural Parameters for the System of Vitamin C and Different Sulfoxide Solvents [Volume 11, Issue 3, 2023, Pages 643-651]
  • Biopolymer Graphene Oxide/Activated Clay/Gelatin Composites: Synthesis, Characterization and Properties [Volume 10, Issue 1, 2022, Pages 143-150]
  • Bioremediation Optimization of Biodegradation of Long Chain n-Alkanes by Rhodococcus sp. Moj-3449 Using Response Surface Methodology [Volume 8, Issue 1, 2020, Pages 45-59]
  • Biosensor How to Change the Redox Potential of Guanine? [Volume 3, Issue 4, 2015, Pages 341-346]
  • Biosensor In Silico Study of the Effect of Porphyrin-Based Ligands on the Structure of G-Quadruplex in the Presence of Different Ions [Volume 11, Issue 4, 2023, Pages 695-705]
  • Biosensors The Effect of Coinage Transition Metal (Cu, Ag, Au) Substitutions on Two-electron Redox Potential of Quinones [Volume 3, Issue 3, 2015, Pages 179-189]
  • Biosorption Solamen Vaillanti Mollusk Powder as an Efficient Biosorbent for Removing Cobalt Ions from Aqueous Solution: Kinetic and Equilibrium Studies [Volume 11, Issue 1, 2023, Pages 159-169]
  • Biosorption Industrial By-Products as Potentially Economic and Promising Adsorbents for Removing Dyes from Effluents: A Review Study [Volume 12, Issue 2, 2024, Pages 361-382]
  • Biosynthesis Biosynthesis and Optimization of AgNPs Yield from Chromolaena Odorata Leaf Extract Using Response Surface Methodology (RSM) [Volume 12, Issue 1, 2024, Pages 21-31]
  • Birefringence Mechano-Optical Study of the Deformation of Polymer Films [Volume 12, Issue 2, 2024, Pages 393-406]
  • Bis(pyridine)halonium The Nature of Halogen Bonds in [N∙∙∙X∙∙∙N]+ Complexes: A Theoretical Study [Volume 4, Issue 1, 2016, Pages 1-15]
  • Bis (trifluoromethylsulfonyl) imide Antibacterial Activity of Short-Chained 1-Alkyl-3-methylimidazolium Bis(trifluoromethylsulfonyl) Imide Ionic Liquids [Volume 2, Issue 2, 2014, Pages 260-269]
  • Bithiophene Theoretical Calculations of Refractive Index of Synthesized One and Two Substituted Derivatives of Functionalized Bithiophene Compounds [Volume 7, Issue 2, 2019, Pages 261-270]
  • Bitumen Simultaneous Ash and Sulphur Removal from Bitumen Using Column Flotation Technique: Experiments, RSM Modeling and Optimization [Volume 5, Issue 1, 2017, Pages 195-204]
  • BiVO4 Surface Modification of BiVO4 Using (3-Aminopropyl) Triethoxysilane and Study of the Photocatalytic Properties and Process Optimization [Volume 9, Issue 2, 2021, Pages 281-299]
  • Black fungus Modified D-Glucofuranoses as New Black Fungus Protease Inhibitors: Computational Screening, Docking, Dynamics, and QSAR Study [Volume 10, Issue 2, 2022, Pages 195-209]
  • Black phosphorus Molecular Interactions of MeOH and EtOH with Black Phosphorus Monolayer: A Periodic Density Functional Study [Volume 7, Issue 2, 2019, Pages 435-447]
  • Blue shift Microsolvation of NO2+ in Helium: An Ab Initio Study on NO2+-Hen Clusters (n ≤ 7) [Volume 4, Issue 1, 2016, Pages 109-117]
  • BNNT Hydrogen Adsorption on (5,0) and (3,3) Na-decorated BNNTs [Volume 5, Issue 3, 2017, Pages 447-463]
  • Bond dissociation energy A Theoretical Study on the Structure-Radical Scavenging Activity of Some Hydroxyphenols [Volume 4, Issue 1, 2016, Pages 73-82]
  • Bond dissociation enthalpy (BDE) Theoretical Study on Glycosyl Group Effect on Antioxidant Ability of Chrysin Bioflavonoid [Volume 4, Issue 4, 2016, Pages 643-654]
  • Borate glasses XRD, EPR and FT-IR Studies of Zinc Aluminium Lithium Borate (ZALB) Glases Doped with Cu2+ Ions [Volume 10, Issue 4, 2022, Pages 455-460]
  • Boron Ab Initio Studies on the Interplay between Unconventional B•••X Halogen Bond and Lithium/Hydrogen/Halogen Bond in HB(CO)2•••XCN•••YF (X = Cl, Br; Y = Li, H, Cl) Complexes [Volume 5, Issue 4, 2017, Pages 771-781]
  • Boron nitride cage Calculation of Thermodynamic Parameters of [2.4.6] Three Nitro Toluene (TNT) with Nanostructures of Fullerene and Boron Nitride Nano-cages over Different Temperatures, Using Density Functional Theory [Volume 5, Issue 4, 2017, Pages 617-627]
  • Boron nitride nanosheet Functionalized Single-atom Thickness Boron Nitride Membrane for Separation of Arsenite Ion from Water: A Molecular Dynamics Simulation Study [Volume 8, Issue 3, 2020, Pages 543-556]
  • Boron nitride nanotube Sensitivity of Perfect and Stone-Wales Defective BNNTs Toward NO Molecule: A DFT/M06-2X Approach [Volume 5, Issue 1, 2017, Pages 167-183]
  • Boron nitride nanotube Comparative Study of Glyphosate Adsorption on Armchair CNT(5.5) and BNNT(5.5): A DFT Study [Volume 9, Issue 3, 2021, Pages 373-384]
  • Boron nitride nanotubes (BNNTs) New Insights in the Use of Boron Nitrogen Nanotubes as Cisplatin Nanovector [Volume 11, Issue 2, 2023, Pages 253-265]
  • Bovine serum albumin Spectroscopic, Thermodynamic and Molecular Docking Studies on Interaction of Toxic Azo Dye with Bovine Serum Albumin [Volume 5, Issue 3, 2017, Pages 541-554]
  • BPNTs The Interaction of HCN Gas on the Surface of Pristine, Ga, N and GaN-Doped (4,4) Armchair Models of BPNTs: A Computational Approach [Volume 3, Issue 4, 2015, Pages 265-277]
  • Brassica carinata oil Kinetic Monte Carlo Study of Biodiesel Production through Transesterification of Brassica Carinata Oil [Volume 5, Issue 2, 2017, Pages 329-338]
  • Brilliant orange (BO) dye Enhanced Removal of Brilliant Orange by Poly(4-vinylpyridine)/Acid-Activated Bentonite Composite [Volume 11, Issue 2, 2023, Pages 327-339]
  • Broth microdilution method Preparation, Characterization and Antibacterial Activity of Manganese Oxide Nanoparticles [Volume 3, Issue 3, 2015, Pages 197-204]
  • BTEX Estimation of Solubility of BTEX, Light Hydrocarbons and Sour Gases in Triethylene Glycol Using the SAFT Equation of State [Volume 8, Issue 2, 2020, Pages 251-266]
  • Butyrylcholinesterase inhibitors QSAR, Docking and Molecular Dynamics Studies on the Piperidone-grafted Mono- and Bis-spiro-oxindole-hexahydropyrrolizines as Potent Butyrylcholinesterase Inhibitors [Volume 6, Issue 4, 2018, Pages 685-711]
  • Bvp4c method The Effect of Nonlinear Thermal Radiation on EMHD Casson Nanofluid over a Stretchable Riga Plate with Temperature-Dependent Viscosity and Chemical Reaction [Volume 12, Issue 1, 2024, Pages 157-173]

C

  • C60 fullerene A DFT Study on Adsorption of Alanine on Pristine, Functionalized and Boron and/or Nitrogen Doped Functionalized C60 Fullerenes [Volume 8, Issue 4, 2020, Pages 657-669]
  • Ca2+ removal Removal of Calcium (Ca2+) Ion from Aqueous Solution by Chemically Activated Thuja Occidentalis Leaves Carbon (CATLC)-Application for Softening the Groundwater Samples [Volume 7, Issue 3, 2019, Pages 449-466]
  • CADD Structural Insight into 2-Aryl-4-Quinoline Carboxylic Acid-Based Dihydroorotate Dehydrogenase (DHODH) and its Potential Anti-SARS-CoV-2 Activity Through Pharmacophore Modeling, Multidimensional QSAR, ADME, and Docking Studies [Volume 11, Issue 4, 2023, Pages 783-800]
  • Cadmium Structural, Optical, and Luminescence Studies of Sm2O3-Doped Cd2Sr(PO4)2 Nanopowder [Volume 11, Issue 3, 2023, Pages 501-510]
  • Calcium deuteride Empirical Potential Energy Curve for the Ground State of CaH from a Multi-isotopologue Direct Potential Fit Analysis [Volume 5, Issue 4, 2017, Pages 643-658]
  • Calcium hydride Empirical Potential Energy Curve for the Ground State of CaH from a Multi-isotopologue Direct Potential Fit Analysis [Volume 5, Issue 4, 2017, Pages 643-658]
  • Calcium oxide catalyst Synthesis of KOH@CaO Catalyst by Sol-gel Method for Highly Efficient Biodiesel Production from Olive Oil [Volume 9, Issue 1, 2021, Pages 43-55]
  • Calcium oxide nanocatalyst Biodiesel Production from Chicken Fat Using Nano-calcium Oxide Catalyst and Improving the Fuel Properties via Blending with Diesel [Volume 6, Issue 3, 2018, Pages 521-529]
  • Calcon Removal of Azo Dye Calcon Using Polyaniline Films Electrodeposited on SnO2 Substrate [Volume 8, Issue 1, 2020, Pages 111-124]
  • Calf thymus DNA Spectroscopic Studies on the Interaction of Co(II) Tetrapyridinoporphyrazine with Synthetic Polynucleotides and DNA [Volume 4, Issue 2, 2016, Pages 161-172]
  • Calix[4]arene QSAR Studies of the Dioxins and Interaction of OCDD with Calix[4] Arene Using DFT [Volume 3, Issue 3, 2015, Pages 247-264]
  • Cameroon flora In Silico Approach for Designing Novel SARS-CoV-2 Inhibitors from Medicinal Plants [Volume 11, Issue 3, 2023, Pages 589-604]
  • Cancer treatment Amphiphilic Block Copolymer Nano-micelles: Effect of Length Ratio of the Hydrophilic Block [Volume 3, Issue 3, 2015, Pages 239-245]
  • Caproic Acid Measurement and Thermodynamic Modeling of LLE Data of Ternary System (Water + Caproic Acid + Undecan-1-ol) at 298.2 K [Volume 11, Issue 3, 2023, Pages 615-622]
  • Captopril Structural Investigation, Proton and Electron Affinities, Gas Phase Basicities, and Ionization Energies of Captopril [Volume 7, Issue 2, 2019, Pages 245-259]
  • Carbamate Spectroscopic and DFT Investigations on Some New Aryl (trichloroacetyl)carbamate Derivatives [Volume 8, Issue 4, 2020, Pages 705-718]
  • Carbazole Materials Based on Carbazole for Organic Solar Cells Applications. Theoretical Investigations [Volume 2, Issue 2, 2014, Pages 244-251]
  • Carbazole Optimization and Modeling of Complete Removal of N-Compounds from Oil Cut Using Response Surface Methodology (RSM) by CuAlO2/ZSM-12&35 as a New Photocatalyst [Volume 8, Issue 4, 2020, Pages 585-608]
  • Carbon Impact of Oil Viscosity on Carbon Stabilization Using Polyisobutylene Succinimide (PIBSI) Dispersant [Volume 12, Issue 1, 2024, Pages 85-93]
  • Carbon dioxide Spontaneous Adsorption, and Selective Sensing of CO, and CO2 Greenhouse Gaseous Species by the more Stable Forms of N4B4 Clusters [Volume 6, Issue 2, 2018, Pages 377-385]
  • Carbon dioxide Adsorption of Some Gas Molecules on the Surface of Graphene Nanoflakes [Volume 11, Issue 4, 2023, Pages 877-887]
  • Carbon disulfide Adsorption of Some Gas Molecules on the Surface of Graphene Nanoflakes [Volume 11, Issue 4, 2023, Pages 877-887]
  • Carbon mono oxide Spontaneous Adsorption, and Selective Sensing of CO, and CO2 Greenhouse Gaseous Species by the more Stable Forms of N4B4 Clusters [Volume 6, Issue 2, 2018, Pages 377-385]
  • Carbon monoxide Interaction of Electronically Excited CO(a^3 Π_r) Molecules with H, H2, and H2O: Potential Energy Surfaces and Reaction Kinetics [Volume 11, Issue 4, 2023, Pages 837-851]
  • Carbon monoxide Effects of Ethanol Fumigation on the Performance and Emissions of Diesel Engines [Volume 12, Issue 1, 2024, Pages 135-144]
  • Carbon Nanotube Theoretical Study on the Chemical Reactivity in the Armchair Single-walled Carbon Nanotube: Proton and Methyl Group Transfer [Volume 5, Issue 2, 2017, Pages 239-251]
  • Carbon Nanotube Comparative Study of Glyphosate Adsorption on Armchair CNT(5.5) and BNNT(5.5): A DFT Study [Volume 9, Issue 3, 2021, Pages 373-384]
  • Carbon nanotube paste electrode Electrochemical Sensor for the Determination of Alizarin Red-S at Non-ionic Surfactant Modified Carbon Nanotube Paste Electrode [Volume 7, Issue 3, 2019, Pages 523-533]
  • Carbon nanotube paste electrode A Sensitive Novel Approach towards the Detection of 8-Hydroxyquinoline at Anionic Surfactant Modified Carbon Nanotube Based Biosensor: A Voltammetric Study [Volume 7, Issue 4, 2019, Pages 813-822]
  • Carbon nanotubes Effects of Functionalization of Carbon Nanotubes on Activity and Selectivity of Co/CNT Catalysts in Fischer-Tropsch Synthesis [Volume 6, Issue 4, 2018, Pages 795-804]
  • Carborane First-order Nonlinear Optical Response of C2Bn-2H n-1X (n = 14-17; X = H, Li, Na, K, F, Cl, Br) Carboranes: Insights from DFT and TD-DFT Calculations [Volume 8, Issue 3, 2020, Pages 529-542]
  • Carboxymethylcellulose (CMC) Modified Biopolymer as Adsorbent for Methylene Blue Dye Removal [Volume 12, Issue 1, 2024, Pages 189-204]
  • Carboxymethylcellulose sodium salt Ion Pair [NaCMC-CAPB] Complex Formed via Interaction of Carboxymethylcellulose Sodium Salt (NaCMC) with Cocamidopropyl Betaine (CAPB) [Volume 11, Issue 3, 2023, Pages 549-558]
  • Catalyst Kinetic Aspects of Tetrahydrobenzo[b]pyran Formation in the Presence of Fructose as a Green Catalyst: a Mechanistic Investigation [Volume 4, Issue 3, 2016, Pages 379-390]
  • Catalyst Efficient Removal of Diclofenac from Pharmaceutical Wastewater Using Impregnated Zeolite Catalyst in Heterogeneous Fenton Process [Volume 7, Issue 1, 2019, Pages 37-52]
  • Catalyst Deposition-Precipitation Synthesized CuCo/Activated Carbon Catalysts for Benzyl Alcohol Oxidation Reaction [Volume 9, Issue 3, 2021, Pages 361-371]
  • Catalyst Modified Mesoporous HMS Supported V/W for Oxidative Desulfurization of Dibenzothiophene [Volume 9, Issue 4, 2021, Pages 637-649]
  • Catalyst deactivation A review of Fischer-Tropsch synthesis on the cobalt based catalysts [Volume 2, Issue 2, 2014, Pages 179-201]
  • Catalyst deactivation Two-level Full Factorial Design for Selectivity Modeling and Studying Simultaneous Effects of Temperature and Ethanol Concentration in Methanol Dehydration Reaction [Volume 5, Issue 1, 2017, Pages 41-56]
  • Catalyst inhibitor complex An Inhibitory Kinetic Method for the Methionine Determination [Volume 10, Issue 2, 2022, Pages 283-292]
  • Catalytic activity Geometric and Electronic Structures of Vanadium Sub-nano Clusters, Vn (n = 2-5), and their Adsorption Complexes with CO and O2 Ligands: A DFT-NBO Study [Volume 5, Issue 3, 2017, Pages 601-615]
  • Catalytic and photocatalytic activities The Effect of Sr-Doping on Structural, Optical, Catalytic, and Photocatalytic Properties of α-MnO2 Nanowires Synthesized via a Hydrothermal Route [Volume 11, Issue 3, 2023, Pages 559-574]
  • Catalytic kinetic modeling The Application of Hybrid RSM/ANN Methodology of an Iron-based Catalyst Performance in Fischer-Tropsch Synthesis [Volume 5, Issue 3, 2017, Pages 585-600]
  • Catalytic oxidative desulfurization method Synthesis MnMoP/γ-Al2O3 Oxidative Desulfurization Catalyst and Optimized the Operating Conditions of the Catalytic ODS Method of Condensate [Volume 11, Issue 1, 2023, Pages 49-61]
  • Catalytic oxidative desulfurization process The Preparation of FeMo/γ-Al2O3 Extruded Catalyst and Optimization of the Operating Conditions of the ODS of Light Oil Naphtha [Volume 11, Issue 2, 2023, Pages 191-202]
  • Cationic Adsorption of Different Dyes from Aqueous Solutions Using Organo-clay Compposites [Volume 8, Issue 4, 2020, Pages 767-787]
  • Cationic dye Kinetic, Isotherm and Mechanism Investigations of the Removal of Basic Violet 3 from Water by Raw Spent Coffee Grounds [Volume 8, Issue 3, 2020, Pages 569-584]
  • Cationic metalloporphyrin Thermodynamics Binding of Tetrakis (2,3,5,6-Tetrafluoro-N,N′,Nʺ-Trimethyl Ammonium Phenyl) Porphyrin Nickel(II) With Calf Thymus DNA [Volume 3, Issue 3, 2015, Pages 205-216]
  • Cation-π The Influence of Cation-π Interactions on the Strength and Nature of Intramolecular O...H Hydrogen Bond in Orthohydroxy Benzaldehyde Compound [Volume 5, Issue 1, 2017, Pages 57-68]
  • Cation-σ interactions Cooperative and Diminutive Interplay between Halogen, Hydride and Cation-σ Interactions [Volume 4, Issue 4, 2016, Pages 583-589]
  • CATLC Removal of Manganese(II) from Aqueous Solution by Chemically Activated Thuja Occidentalis Leaves Carbon (CATLC) as an Adsorbent: Adsorption Equilibrium and Kinetic Studies [Volume 7, Issue 1, 2019, Pages 11-26]
  • CATLC Removal of Calcium (Ca2+) Ion from Aqueous Solution by Chemically Activated Thuja Occidentalis Leaves Carbon (CATLC)-Application for Softening the Groundwater Samples [Volume 7, Issue 3, 2019, Pages 449-466]
  • Cd2+Adsorption Response Surface Methodology (RSM) for Statistical Optimization of Cd2+ Removal Using Modified Zn2Al-layer Double Hydroxide by Quinoline Yellow [Volume 8, Issue 2, 2020, Pages 313-341]
  • CDK2 Novel Styrylquinoline Derivatives as Potential Anticancer Agents, In-Silico studies by 3D-QSAR, Molecular Docking, and Molecular Dynamics Simulations [Volume 11, Issue 4, 2023, Pages 953-967]
  • CdO-FePO4 CNPs Comparative Study of Crystallite Size from XRD and TEM Results for Pure and V2O5 Doped CdO-FePO4 Composite Nanopowders [Volume 11, Issue 2, 2023, Pages 241-251]
  • CDS A Facile Protocol for Designing the CdS/PbS Multi Layered Quantum Dots with Enhanced Photoelectrochemical Performance [Volume 9, Issue 2, 2021, Pages 227-239]
  • Cephalexin Quantum Mechanical Approach for the Catalytic Mechanism of Dinuclear Zinc Metallo-β-lactamase by Penicillin and Cephalexin: Kinetic and Thermodynamic Points of View [Volume 5, Issue 4, 2017, Pages 709-725]
  • Ceramic Crystal Chemistry of Immobilization of tetravalent Ce and Se in ceramic matrix of sodium zirconium phosphates [Volume 2, Issue 1, 2014, Pages 21-29]
  • Ceramic materials An Investigation of the Electrophysical Properties of Composite Ceramic Materials Containing Nickel Nanoparticles [Volume 11, Issue 2, 2023, Pages 231-239]
  • Cerium oxide (CeO2) Photocatalytic and Optical Performances of CeO2 by Substitution of Titanium [Volume 9, Issue 4, 2021, Pages 553-564]
  • Cerium oxide nanocrystals Fe-Loaded CeO2 Nanosized Prepared by Simple Co-Precipitation Route [Volume 6, Issue 4, 2018, Pages 713-720]
  • CGR Beyond the Limitations of API RP-14E Erosional Velocity -A Field Study for Gas Condensate Wells [Volume 6, Issue 1, 2018, Pages 193-207]
  • Chain molecule A Hard Convex Core Yukawa Equation of State for Nonassociated Chain Molecules [Volume 3, Issue 4, 2015, Pages 347-360]
  • Charge density Antimalarial Activity of some Conjugated Arylhydrazones: Ab Initio Calculation of Nuclear Quadrupole Coupling Constants (NQCC) [Volume 5, Issue 4, 2017, Pages 681-689]
  • Charge transfer Hydrogen Adsorption on (5,0) and (3,3) Na-decorated BNNTs [Volume 5, Issue 3, 2017, Pages 447-463]
  • Charge transfer Ortho-phenylenediamine Based Bis-ureas as the Ion Selective Sensors; A QM/MD Study [Volume 7, Issue 4, 2019, Pages 785-797]
  • Chelation Therapy Complexation of Modified Deferasirox with Iron Cation in Three-multiplicities: A Theoretical Study on the [SPION-APTMS-DFX-Fe] Nanostructure [Volume 9, Issue 1, 2021, Pages 31-42]
  • Chemical approach Photocatalytic Degradation of Rhodamine B and Methylene blue Using α-Fe2O3 Nanoparticles [Volume 11, Issue 1, 2023, Pages 139-147]
  • Chemical descriptor Reactivity of Isothiasole with Dibromine and Sulfuryl Chloride [Volume 11, Issue 3, 2023, Pages 511-525]
  • Chemical model (lcCM) Conductometric Analysis of some Ionic Liquids, 1-Alkyl-3-methylimidazolium Bromide with Aspirin in Acetonitrile Solutions [Volume 4, Issue 3, 2016, Pages 355-368]
  • Chemical potential Adsorption Behavior, Electronical and Thermodynamic Properties of Ornidazole Drug on C60 Fullerene Doped with Si, B and Al: A Quantum Mechanical Simulation [Volume 9, Issue 1, 2021, Pages 151-164]
  • Chemical shielding Size Evolution Study of the Electronic and Magnetic Properties of MgO Nanoclusters [Volume 3, Issue 2, 2015, Pages 89-98]
  • Chemical synthesis PVP-Assisted Synthesis of Cobalt Ferrite (CoFe2O4) Nanorods [Volume 4, Issue 4, 2016, Pages 655-662]
  • Chemiluminescence Interaction of Electronically Excited CO(a^3 Π_r) Molecules with H, H2, and H2O: Potential Energy Surfaces and Reaction Kinetics [Volume 11, Issue 4, 2023, Pages 837-851]
  • Chemosensor Sensing Activity of a New Generation of Thiourea-based Receptors; A Theoretical Study on the Anion Sensing [Volume 4, Issue 3, 2016, Pages 427-440]
  • Chicken fat Biodiesel Production from Chicken Fat Using Nano-calcium Oxide Catalyst and Improving the Fuel Properties via Blending with Diesel [Volume 6, Issue 3, 2018, Pages 521-529]
  • Chiral compounds Ternary Phase Diagram Modeling of Chiral Medetomidine Salts Using NRTL-SAC Model [Volume 4, Issue 4, 2016, Pages 663-671]
  • Chirality Theoretical study of magnetic susceptibility and optical activity of small molecules containing one chiral center [Volume 2, Issue 1, 2014, Pages 41-52]
  • Chiral Twisted Nematic Director Structures in a Chiral Nematic Slab: Threshold Field and Pitch Variations [Volume 1, Issue 2, 2013, Pages 134-141]
  • Chitosan Comparative Study of Adsorption of Safranin o by TiO2/Activated Carbon and Chitosan/TiO2/Activated Carbon Adsorbents [Volume 9, Issue 4, 2021, Pages 605-621]
  • Chitosan Preparation of Schiff Bases Derived from Chitosan and Investigate their Photostability and Thermal Stability [Volume 10, Issue 4, 2022, Pages 549-557]
  • Chlorine molecule Kinetics of Vinyl Radical with Chlorine Molecules, A Theoretical Study [Volume 12, Issue 2, 2024, Pages 441-451]
  • Chloroxylon Swietenia Activated Carbon (CSAC) Thermodynamic, Kinetic, Batch Adsorption and Isotherm Models for the Adsorption of Nickel from an Artificial Solution Using Chloroxylon Swietenia Activated Carbon [Volume 10, Issue 3, 2022, Pages 315-324]
  • C-H-O An Efficient Method for Correlation of Vapor Pressure of Gaseous Compounds Containing C-H-O [Volume 3, Issue 4, 2015, Pages 279-291]
  • Cholesteryl stereate Spectroscopic and FMO Studies of Cholesteryl Stereate Complexes for Electrooptical Activity [Volume 7, Issue 1, 2019, Pages 27-36]
  • Choline chloride Deep Eutectic Solvent as a Green Solvent for Fast Analysis of the Volatile Components of Satureja Hortensis L. [Volume 10, Issue 3, 2022, Pages 421-428]
  • Choline chloride Insights into the Lignin Dissolution Mechanism of Water Content Tailored-choline Chloride (ChCl) Based Green Solvents for Biomass Pretreatment [Volume 11, Issue 3, 2023, Pages 605-614]
  • Chromolaena odorata Biosynthesis and Optimization of AgNPs Yield from Chromolaena Odorata Leaf Extract Using Response Surface Methodology (RSM) [Volume 12, Issue 1, 2024, Pages 21-31]
  • Cisplatin New Insights in the Use of Boron Nitrogen Nanotubes as Cisplatin Nanovector [Volume 11, Issue 2, 2023, Pages 253-265]
  • Cl- Adsorption of F-, Cl-, Li+ and Na+ on the Exterior Surface of Mg12O12 Nanocage in the Gas Phase and Water Media: A DFT Study [Volume 4, Issue 4, 2016, Pages 591-605]
  • Clathrate hydrate A Fugacity Approach for Prediction of Phase Equilibria of Methane Clathrate Hydrate in Structure H [Volume 5, Issue 3, 2017, Pages 465-481]
  • Clausius-Mossotti equation Dielectric Properties of Ultra-Low Dielectric Constant PVA-Pentaerythritol/MnO2 Nanocomposite [Volume 10, Issue 3, 2022, Pages 325-331]
  • Clonazepam Solubility and Thermodynamics of Clonazepam in (1-Propanol/2-Propanol) and Water Binary Solvent Mixtures at (293.15 to 313.15) K [Volume 12, Issue 3, 2024, Pages 549-565]
  • Cloud point A Comparative Study on Water and Ethanol Separation Mixture by Different Solvents: New Experimental and Correlation Data [Volume 9, Issue 4, 2021, Pages 689-700]
  • Cluster expansion Variational Calculations for the Relativistic Interacting Fermion System at Finite Temperature: Application to Liquid 3He [Volume 5, Issue 1, 2017, Pages 99-112]
  • CMC Flocculation of Clay Suspensions Using Copolymers Based on Acrylamide and Biopolymer [Volume 11, Issue 2, 2023, Pages 221-230]
  • CO2 removal Application of GMA Equation of State to Study Thermodynamic Properties of 2-Amino-2-methyl-1-propanol as an Efficient Absorbent for CO2 [Volume 5, Issue 2, 2017, Pages 317-328]
  • CO2 removal Chemical Capture of CO2 by Glycine Salt Solution [Volume 7, Issue 4, 2019, Pages 765-774]
  • Coagulation Theoretical and Experimental Study of the Orientation to the Most Effective Coagulant for Removing Reactive Black-5 Dye from Industrial Effluents [Volume 12, Issue 1, 2024, Pages 229-248]
  • Coarsening Quantum dots of CdS synthesized by micro-emulsion under ultrasound: size distribution and growth kinetics [Volume 1, Issue 2, 2013, Pages 166-174]
  • Cobalt based catalyst Determination of the Product Selectivity Model from the Fischer Tropsch Synthesis in a Fixed Bed Reactor [Volume 7, Issue 3, 2019, Pages 499-510]
  • Cobalt catalyst Toward the Development of a Robust Kinetic Model for the Cobalt Fischer-Tropsch Catalyst Lifetime Using a Novel Sigmoidal Pattern [Volume 6, Issue 1, 2018, Pages 173-192]
  • Cobalt heavy metal Solamen Vaillanti Mollusk Powder as an Efficient Biosorbent for Removing Cobalt Ions from Aqueous Solution: Kinetic and Equilibrium Studies [Volume 11, Issue 1, 2023, Pages 159-169]
  • Cobalt(II) Porphyrazine Spectroscopic Studies on the Interaction of Co(II) Tetrapyridinoporphyrazine with Synthetic Polynucleotides and DNA [Volume 4, Issue 2, 2016, Pages 161-172]
  • Cobalt oxide (Co3O4) Fabrication and Characterization of Nanoporous Co Oxide (Co3O4) Prepared by Simple Sol-gel Synthesis [Volume 4, Issue 2, 2016, Pages 153-160]
  • Co-based catalyst A review of Fischer-Tropsch synthesis on the cobalt based catalysts [Volume 2, Issue 2, 2014, Pages 179-201]
  • Cocamidopropyl betaine Ion Pair [NaCMC-CAPB] Complex Formed via Interaction of Carboxymethylcellulose Sodium Salt (NaCMC) with Cocamidopropyl Betaine (CAPB) [Volume 11, Issue 3, 2023, Pages 549-558]
  • CO conversion A Neuro-Fuzzy Algorithm for Modeling of Fischer-Tropsch Synthesis over a Bimetallic Co/Ni/Al2O3 Catalyst [Volume 3, Issue 1, 2015, Pages 78-88]
  • COD Surface Modification of BiVO4 Using (3-Aminopropyl) Triethoxysilane and Study of the Photocatalytic Properties and Process Optimization [Volume 9, Issue 2, 2021, Pages 281-299]
  • CoFe2O3 nanorods PVP-Assisted Synthesis of Cobalt Ferrite (CoFe2O4) Nanorods [Volume 4, Issue 4, 2016, Pages 655-662]
  • Co/Fe nano catalyst KCl Promoted Cobalt-iron Nanocatalysts Supported on Silica: Catalytic Performance and Characterization in Fischer-Tropsch Synthesis [Volume 6, Issue 2, 2018, Pages 399-414]
  • Cohesion factor New Generalization of Cohesion Factor Model for Polar Compounds: Peng-Robinson Equation of State [Volume 8, Issue 2, 2020, Pages 355-364]
  • CO hydrogenation Toward the Development of a Robust Kinetic Model for the Cobalt Fischer-Tropsch Catalyst Lifetime Using a Novel Sigmoidal Pattern [Volume 6, Issue 1, 2018, Pages 173-192]
  • CO hydrogenation Catalytic Behavior of Co/Al2O3 Nanocatalyst under External Magnetic Field [Volume 8, Issue 4, 2020, Pages 645-656]
  • Colloids Solvation Force of Ellipse-Shaped Molecules Moving in One Dimension and Confined between Two Parallel Planar Walls [Volume 3, Issue 1, 2015, Pages 58-66]
  • Color purity Structural, Optical, and Luminescence Studies of Sm2O3-Doped Cd2Sr(PO4)2 Nanopowder [Volume 11, Issue 3, 2023, Pages 501-510]
  • Column flotation process Simultaneous Ash and Sulphur Removal from Bitumen Using Column Flotation Technique: Experiments, RSM Modeling and Optimization [Volume 5, Issue 1, 2017, Pages 195-204]
  • Combining rule VLE Properties from ISM Equation of State: Application to Pure and Mixture [Volume 3, Issue 1, 2015, Pages 16-23]
  • Combustion diagnostics Interaction of Electronically Excited CO(a^3 Π_r) Molecules with H, H2, and H2O: Potential Energy Surfaces and Reaction Kinetics [Volume 11, Issue 4, 2023, Pages 837-851]
  • Combustion Method Antimicrobial Investigation of CuO and ZnO Nanoparticles Prepared by a Rapid Combustion Method [Volume 7, Issue 4, 2019, Pages 799-812]
  • CoMFA Combined 3D-QSAR and Molecular Docking Analysis of Styrylquinoline Derivatives as Potent anti-cancer Agents [Volume 10, Issue 3, 2022, Pages 345-362]
  • Complex Ion Pair [NaCMC-CAPB] Complex Formed via Interaction of Carboxymethylcellulose Sodium Salt (NaCMC) with Cocamidopropyl Betaine (CAPB) [Volume 11, Issue 3, 2023, Pages 549-558]
  • Complexation Tautomerism, Intramolecular H-bonding, Acidity and Complexation of 2,4-Dioxo-4-Phenylbutanoic Acid [Volume 7, Issue 2, 2019, Pages 375-394]
  • Composite Adsorption of Anionic Dyes on Poly(N-vinylpyrrolidone) Modified Bentonite [Volume 7, Issue 4, 2019, Pages 731-749]
  • Composite ZnO-MgFe2O4/(Mg)- or (Zn)-Al-LDH Composites: Adsorption Efficiency, Kinetics, and Adsorption Isotherm for Congo Red Removal [Volume 9, Issue 2, 2021, Pages 311-325]
  • Composite Graphene Oxide/Activated Clay/Gelatin Composites: Synthesis, Characterization and Properties [Volume 10, Issue 1, 2022, Pages 143-150]
  • Composite catalyst Catalytic Investigation of Aluminum Effects on Benzene Hydrogenation Selectivity over Nickel Supported HMS/HZSM-5 Composites [Volume 7, Issue 3, 2019, Pages 535-545]
  • Compressibility Investigation of Volumetric and Acoustic Properties of Ionic Liquid + Amino Acid + Water Systems at Different Temperatures [Volume 6, Issue 3, 2018, Pages 531-546]
  • Computational chemistry Benzimidazole Derivatives in Identifying Novel Acetylcholinesterase Inhibitors: A Combination of 3D-QSAR, Docking and Molecular Dynamics Simulation [Volume 10, Issue 2, 2022, Pages 237-249]
  • Computational investigation Density Functional Theory Study of the Reaction Behavior Histidine Modified Polyamidoamine Dendrimer as Nanocarrier for Delivery of Ectoine Drug [Volume 10, Issue 2, 2022, Pages 225-236]
  • Computational Modeling Photocatalytic and Optical Performances of CeO2 by Substitution of Titanium [Volume 9, Issue 4, 2021, Pages 553-564]
  • CoMSIA Combined 3D-QSAR and Molecular Docking Analysis of Styrylquinoline Derivatives as Potent anti-cancer Agents [Volume 10, Issue 3, 2022, Pages 345-362]
  • Conducting polymers Theoretical Study on Structure and Electronic Properties of Aniline-5-Membered Heterocyclic Co-oligomers [Volume 6, Issue 3, 2018, Pages 463-478]
  • Confined fluid Solvation Force of Ellipse-Shaped Molecules Moving in One Dimension and Confined between Two Parallel Planar Walls [Volume 3, Issue 1, 2015, Pages 58-66]
  • Confined fluids Density and Polarization Profiles of Dipolar Hard Ellipsoids Confined between Hard Walls: A Density Functional Theory Approach [Volume 5, Issue 1, 2017, Pages 153-166]
  • Conformal invariance Introduction to Schramm-Loewner evolution and its application to critical systems [Volume 3, Issue 1, 2015, Pages 1-15]
  • Conformation Neutralization Degree Effect on Potentiometric Behavior of Poly(N-octyl-4-vinylpyridinium Bromide) [Volume 11, Issue 1, 2023, Pages 91-101]
  • Conformational analysis Comparative Computational Studies of 1,4-Diformyl-piperazine and 1,4-Dithionyl-Piperazine [Volume 6, Issue 2, 2018, Pages 263-285]
  • Conformational distribution Structural Investigation, Proton and Electron Affinities, Gas Phase Basicities, and Ionization Energies of Captopril [Volume 7, Issue 2, 2019, Pages 245-259]
  • Conformations analysis A Computational Study on the Stability of Dapdiamide D Conformers [Volume 4, Issue 4, 2016, Pages 567-581]
  • Congo red A Kinetic Study on Adsorption of Congo Red from Aqueous Solution by ZnO-ZnFe2O4-polypyrrole Magnetic Nanocomposite [Volume 4, Issue 2, 2016, Pages 291-301]
  • Congo red Adsorption Study of Reactive Violet 8 and Congo Red Dyes onto Aloe Vera Micropowder Impregnated with Cu Atoms as a Natural Modified Sorbent and Related Kinetics and Thermodynamics [Volume 7, Issue 3, 2019, Pages 547-560]
  • Congo red Removal of Congo Red from Aqueous Solution Using Cuttlefish Bone Powder [Volume 9, Issue 4, 2021, Pages 565-577]
  • Contact angle Enhanced Procedure for Fabrication of an Ultrahydrophobic Aluminum Alloy Surface using Fatty Acid Modifiers [Volume 5, Issue 2, 2017, Pages 339-357]
  • Control size Influence of Different Percentages of Copper on the Size and Optical Properties of Ag-Cu Nanoparticles Formed by Wet-Chemical Method [Volume 3, Issue 4, 2015, Pages 331-339]
  • Conversion Study of HMS Modified ZrO2 Supported Platinum Catalysts for Toluene Removal: Catalytic Combustion and Kinetics Study [Volume 6, Issue 4, 2018, Pages 721-728]
  • Conversion Nickel Hydrogenation Composite Catalysts Modified by Zirconium in Competitive Benzene Hydrogenation: Effect of Modifiers [Volume 8, Issue 2, 2020, Pages 203-213]
  • Convex body A Hard Convex Core Yukawa Equation of State for Nonassociated Chain Molecules [Volume 3, Issue 4, 2015, Pages 347-360]
  • Cooperative Cooperative and Diminutive Interplay between Halogen, Hydride and Cation-σ Interactions [Volume 4, Issue 4, 2016, Pages 583-589]
  • Cooperativity Mutual interplay between interactions of pi electrons with simultaneous σ-hole interactions: A computational Study [Volume 2, Issue 1, 2014, Pages 1-10]
  • Cooperativity Interplay Between Lithium Bonding and Halogen Bonding in F3CX•••YLi•••NCCN and F3CX•••NCCN•••LiY Complexes (X = Cl, Br; Y = CN, NC) [Volume 2, Issue 2, 2014, Pages 171-178]
  • Cooperativity Ab Initio Studies on the Interplay between Unconventional B•••X Halogen Bond and Lithium/Hydrogen/Halogen Bond in HB(CO)2•••XCN•••YF (X = Cl, Br; Y = Li, H, Cl) Complexes [Volume 5, Issue 4, 2017, Pages 771-781]
  • Copolymer A Thermodynamic Study of the Interactions between Acetamide Derivatives and PCA-PEG-PCA Copolymers: ONIOM Calculations [Volume 2, Issue 2, 2014, Pages 131-136]
  • Copolymer Non-cross-linked Amphiphilic Copolymer Coated Palladium Nanoparticles: A Highly Efficient and Reusable Catalyst for Aerobic Oxidation of Alcohols [Volume 7, Issue 4, 2019, Pages 823-835]
  • Copolymerization Optimization of Swelling Percentage of Poly(AAm-co-AA) in BaCl2 Salt Solution Using Response Surface Methodology (RSM) [Volume 6, Issue 1, 2018, Pages 159-172]
  • Copolymerization Elimination of Turbidity from a Maghnite Suspension by Coagulation/Flocculation Using a Copolymer Modified from N-vinyl Imidazole [Volume 12, Issue 2, 2024, Pages 467-481]
  • Copolymers Amphiphilic Block Copolymer Nano-micelles: Effect of Length Ratio of the Hydrophilic Block [Volume 3, Issue 3, 2015, Pages 239-245]
  • Copper(I) oxide Pulsed Plasma-Chemical Synthesis of CuxOy-TiO2 Nanocomposite [Volume 11, Issue 2, 2023, Pages 425-436]
  • Copper-silver Influence of Different Percentages of Copper on the Size and Optical Properties of Ag-Cu Nanoparticles Formed by Wet-Chemical Method [Volume 3, Issue 4, 2015, Pages 331-339]
  • Co-precipitation Kinetic Study of Fischer Tropsch Synthesis over co Precipitated Iron-Cerium Catalyst [Volume 1, Issue 1, 2013, Pages 69-80]
  • Co-precipitation Synthesis and Characterization of α-Fe2O3 Nanoparticles by Simple Co-Precipitation Method [Volume 3, Issue 3, 2015, Pages 191-196]
  • Co-precipitation Fe-Loaded CeO2 Nanosized Prepared by Simple Co-Precipitation Route [Volume 6, Issue 4, 2018, Pages 713-720]
  • Co-precipitation How Co-Precipitation Reaction Parameters Control the Characteristics and Features of Iron Oxide Nanoparticles [Volume 9, Issue 2, 2021, Pages 241-252]
  • Co-precipitation Removal of Pb(II) Ion from Aqueous Solution Using As-synthesized CuO/Cu2O Nanocomposites [Volume 11, Issue 1, 2023, Pages 171-180]
  • Co-precipitation method Effect of PVA/PEG-coated Fe3O4 Nanoparticles on the Structure, Morphology and Magnetic Properties [Volume 10, Issue 4, 2022, Pages 537-547]
  • Co-promoter Statistical Optimization of Liquid Phase Oxidation of Benzyl Alcohol over Efficient Cobalt Promoted Vanadyl Pyrophosphate Catalysts by Box-Behnken Design [Volume 3, Issue 2, 2015, Pages 111-123]
  • Cordia dichotoma Investigating the Influence of Alkali over Morphology, Functional Groups, and Physical and Mechanical Properties of Fiber obtained from Cordia Dichotoma (Gum Berry) [Volume 12, Issue 2, 2024, Pages 349-359]
  • Correlation Theoretical study of magnetic susceptibility and optical activity of small molecules containing one chiral center [Volume 2, Issue 1, 2014, Pages 41-52]
  • Correlation An Accurate Empirical Correlation to Estimate Sonic speed of Ionic Liquids [Volume 3, Issue 2, 2015, Pages 169-178]
  • Correlation An Efficient Method for Correlation of Vapor Pressure of Gaseous Compounds Containing C-H-O [Volume 3, Issue 4, 2015, Pages 279-291]
  • Correlation Optical Properties of Some Oligothiophene Derivatives: DFT Study [Volume 4, Issue 1, 2016, Pages 35-46]
  • Correlation Empirical Correlations and an Artificial Neural Network Approach to Estimate Saturated Vapor Pressure of Refrigerants [Volume 5, Issue 2, 2017, Pages 281-292]
  • Correlation A Simple Equation for the Thermal Conductivity of Saturated Vapor Refrigerants [Volume 6, Issue 2, 2018, Pages 287-294]
  • Correlation A New Surface Tension Model for Prediction of Interaction Energy between Components and Activity Coefficients in Binary Systems [Volume 6, Issue 2, 2018, Pages 335-363]
  • Correlation An Empirical Correlation for Estimation of the Thermal Conductivity of Saturated Liquid Refrigerants [Volume 7, Issue 1, 2019, Pages 167-180]
  • Correlation A New Simple Model to Calculate the Heat Capacity of Pure Ionic Liquids [Volume 8, Issue 1, 2020, Pages 139-154]
  • Corresponding state models Prediction of DES’ Vapor Pressure Using a New Corresponding State Model [Volume 8, Issue 3, 2020, Pages 471-496]
  • Corrosion inhibitor Curcumin and Curcumin Derivatives as Green Corrosion Inhabitor-A Review [Volume 11, Issue 4, 2023, Pages 825-835]
  • Corrosion inhibitor Exploring the Potential of Quantum Chemical Calculations for Synthesized Quinazoline Derivatives as Superior Corrosion Inhibitors in Acidic Environment [Volume 12, Issue 1, 2024, Pages 205-217]
  • Corrosion inhibitor Inhibiting Performance of Rivaroxaban Against Corrosion of Mild Steel in 1.0 M HCl Solution [Volume 12, Issue 2, 2024, Pages 515-524]
  • Corrosion type Detecting pitting corrosion and its severity using wavelet entropy in electrochemical noise measurement [Volume 2, Issue 1, 2014, Pages 116-122]
  • Cosolvency method Solubility and Thermodynamics of Clonazepam in (1-Propanol/2-Propanol) and Water Binary Solvent Mixtures at (293.15 to 313.15) K [Volume 12, Issue 3, 2024, Pages 549-565]
  • Cosolvency models Solubility of Lamotrigine in Polyethylene Glycol 400 + 2-Propanol Mixtures at Different Temperatures [Volume 11, Issue 3, 2023, Pages 675-682]
  • Coumarin Exploring the Interaction Mechanism of Coumarin with Bovine β-Casein: Spectrofluorometric and Molecular Modeling Studies [Volume 6, Issue 3, 2018, Pages 627-638]
  • Coumarins Quantitative Structure Activity Relationship Analysis of Coumarins as Free Radical Scavengers by Genetic Function Algorithm [Volume 6, Issue 1, 2018, Pages 209-223]
  • COVID-19 Monoclonal Antibodies as Potential Treatment Drugs for Nsp15 and 3CLpro Proteins [Volume 11, Issue 3, 2023, Pages 623-629]
  • COVID-19 Towards Screening and Repurposing of Approved Drugs for the Treatment of COVID-19 Using Molecular Docking [Volume 11, Issue 4, 2023, Pages 707-723]
  • COVID-19 Molecular Analysis of Potential Inhibitors Against SARS-CoV-2: Computational Approach [Volume 11, Issue 4, 2023, Pages 725-734]
  • COVID-19 Discovery of Eugenol-derived Drug Candidates for the Treatment of COVID-19 by Applying Molecular Docking, Molecular Dynamics, and Pharmacokinetic Analysis [Volume 12, Issue 2, 2024, Pages 289-303]
  • CPCM Theoretical Investigation of the Effect of (8,0) Single-walled Carbon Nanotubes on Acidity of Aliphatic Alcohols [Volume 4, Issue 2, 2016, Pages 173-181]
  • Critical neutralization degree Neutralization Degree Effect on Potentiometric Behavior of Poly(N-octyl-4-vinylpyridinium Bromide) [Volume 11, Issue 1, 2023, Pages 91-101]
  • Critical phenomena Introduction to Schramm-Loewner evolution and its application to critical systems [Volume 3, Issue 1, 2015, Pages 1-15]
  • Crocin Molecular Dynamics Simulation of Crocin and Dimethylcrocetin Interactions with DNA [Volume 6, Issue 4, 2018, Pages 825-838]
  • Cross-Linking Density Functional Theory Study of the Reaction Behavior Histidine Modified Polyamidoamine Dendrimer as Nanocarrier for Delivery of Ectoine Drug [Volume 10, Issue 2, 2022, Pages 225-236]
  • Cross-validation A Neuro-Fuzzy Algorithm for Modeling of Fischer-Tropsch Synthesis over a Bimetallic Co/Ni/Al2O3 Catalyst [Volume 3, Issue 1, 2015, Pages 78-88]
  • Crown ether addition Influence of a Crown Ether on the Spectral Properties of Triarylmethane Dyes in Aqueous and Micellar Environments [Volume 1, Issue 1, 2013, Pages 52-60]
  • Crude oil degradation Optimization of Biodegradation of Long Chain n-Alkanes by Rhodococcus sp. Moj-3449 Using Response Surface Methodology [Volume 8, Issue 1, 2020, Pages 45-59]
  • Crystallization Theoretical Study of Polyethylene Crystallization Using Modified Weighted Density Approximation (MWDA) [Volume 4, Issue 2, 2016, Pages 209-219]
  • CTAB Fe-Loaded CeO2 Nanosized Prepared by Simple Co-Precipitation Route [Volume 6, Issue 4, 2018, Pages 713-720]
  • CTAB surfactant Fabrication and Characterization of Nanoporous Co Oxide (Co3O4) Prepared by Simple Sol-gel Synthesis [Volume 4, Issue 2, 2016, Pages 153-160]
  • CT-DNA Thermodynamics Binding of Tetrakis (2,3,5,6-Tetrafluoro-N,N′,Nʺ-Trimethyl Ammonium Phenyl) Porphyrin Nickel(II) With Calf Thymus DNA [Volume 3, Issue 3, 2015, Pages 205-216]
  • Cu3N The Effect of Substrate on Structural and Electrical Properties of Cu3N Thin Film by DC Reactive Magnetron Sputtering [Volume 5, Issue 3, 2017, Pages 497-504]
  • CuCo/activated carbon Deposition-Precipitation Synthesized CuCo/Activated Carbon Catalysts for Benzyl Alcohol Oxidation Reaction [Volume 9, Issue 3, 2021, Pages 361-371]
  • Cu-doped ZnS Ultrasonic-assisted Method for Preparation of Cu-doped ZnS Nanoparticles in Water as a Highly Efficient Visible Light Photocatalyst [Volume 2, Issue 1, 2014, Pages 76-89]
  • CuO/Cu2O nanocomposites Removal of Pb(II) Ion from Aqueous Solution Using As-synthesized CuO/Cu2O Nanocomposites [Volume 11, Issue 1, 2023, Pages 171-180]
  • Curcuma longa An In Vivo Synergistic Research on the Assessment of the Phytocompound Capped Silver Nanoparticles from Raphanus sativus Leaf Extract and Curcuma longa Against UTI-Causing E.coli. [Volume 10, Issue 4, 2022, Pages 581-588]
  • Curcumin and Curcumin derivatives Curcumin and Curcumin Derivatives as Green Corrosion Inhabitor-A Review [Volume 11, Issue 4, 2023, Pages 825-835]
  • Cuttlefish bone Removal of Congo Red from Aqueous Solution Using Cuttlefish Bone Powder [Volume 9, Issue 4, 2021, Pages 565-577]
  • Cyanogen halide Detection of Cyanogen Halides by B36 Nanocluster: DFT Study [Volume 9, Issue 1, 2021, Pages 107-121]
  • Cyclic nanopeptide Selective Binding of Cyclic Nanopeptide with Halides and Ion Pairs; a DFT-D3 Study [Volume 5, Issue 3, 2017, Pages 425-437]
  • Cyclic Voltammetry Electrochemical Sensor for the Determination of Alizarin Red-S at Non-ionic Surfactant Modified Carbon Nanotube Paste Electrode [Volume 7, Issue 3, 2019, Pages 523-533]
  • Cyclic Voltammetry A Sensitive Novel Approach towards the Detection of 8-Hydroxyquinoline at Anionic Surfactant Modified Carbon Nanotube Based Biosensor: A Voltammetric Study [Volume 7, Issue 4, 2019, Pages 813-822]
  • Cyclic Voltammetry Biosynthesis of Silver Nanoparticles Using Leaves of Acacia Melanoxylon and their Application as Dopamine and Hydrogen Peroxide Sensors [Volume 8, Issue 1, 2020, Pages 1-18]
  • Cyclic Voltammetry Voltammetric and Spectroscopic Studies of Memantine Hydrochloride and its Transition Metal Complexes [Volume 10, Issue 1, 2022, Pages 13-21]
  • Cyclooxygenase-2 Inhibition of Cyclooxygenase-2 and Thymidylate Synthase by Dietary Sphingomyelins: Insights from DFT and Molecular Docking Studies [Volume 8, Issue 2, 2020, Pages 297-311]
  • Cytotoxicity Heme Releasing from Human Hemoglobin upon Interaction with a New Synthesized Complex of 1,10-Phenanthroline-n-butyl Dithiocarbamato Pd(II) Nitrate [Volume 1, Issue 2, 2013, Pages 185-196]

D

  • Dapdiamide A Computational Study on the Stability of Dapdiamide D Conformers [Volume 4, Issue 4, 2016, Pages 567-581]
  • DBT Modified Mesoporous HMS Supported V/W for Oxidative Desulfurization of Dibenzothiophene [Volume 9, Issue 4, 2021, Pages 637-649]
  • DC reactive magnetron sputtering The Effect of Substrate on Structural and Electrical Properties of Cu3N Thin Film by DC Reactive Magnetron Sputtering [Volume 5, Issue 3, 2017, Pages 497-504]
  • DEA Measurement of Thermophysical Properties of Pure and Mixture of Alkanolamines from 288.15-323.15 K [Volume 5, Issue 2, 2017, Pages 269-279]
  • Deactivation modeling Toward the Development of a Robust Kinetic Model for the Cobalt Fischer-Tropsch Catalyst Lifetime Using a Novel Sigmoidal Pattern [Volume 6, Issue 1, 2018, Pages 173-192]
  • Deactivation models Deactivation of Iron Fischer-Tropsch Catalyst in the Presence of Different Promoters: Model Determination and Parameter Estimation Using a Hybrid ANN/GPLE Technique [Volume 11, Issue 4, 2023, Pages 761-770]
  • Debye temperature Computational Study of Debye Temperature for Liquid Mixtures-Thermal Energy Variations [Volume 8, Issue 1, 2020, Pages 167-173]
  • DEC Study of Molecular Interactions of Fossil Fuels through Acoustic and Volumetric Data [Volume 11, Issue 1, 2023, Pages 129-137]
  • Decolorization Influence of a Crown Ether on the Spectral Properties of Triarylmethane Dyes in Aqueous and Micellar Environments [Volume 1, Issue 1, 2013, Pages 52-60]
  • Decomposition Sono-synthesis of Novel Magnetic Nanocomposite (Ba-α-Bi2O3-γ-Fe2O3) for the Solar Mineralization of Amoxicillin in an Aqueous Solution [Volume 5, Issue 2, 2017, Pages 253-268]
  • Decomposition Spherical α Fe2O3 Nanoparticles: Synthesis and Characterization and Its Photocatalytic Degradation of Methyl Orange and Methylene Blue [Volume 10, Issue 4, 2022, Pages 473-483]
  • Decomposition kinetics Kinetic Analysis of Hydrolytic Decomposition of Rubrocurcumin Analogues [Volume 10, Issue 2, 2022, Pages 251-265]
  • Deep eutectic solvents Prediction of DES’ Vapor Pressure Using a New Corresponding State Model [Volume 8, Issue 3, 2020, Pages 471-496]
  • Deep eutectic solvents Deep Eutectic Solvent as a Green Solvent for Fast Analysis of the Volatile Components of Satureja Hortensis L. [Volume 10, Issue 3, 2022, Pages 421-428]
  • Defect Effect of Defects on Mechanical Properties of Graphene under Shear Loading Using Molecular Dynamic Simulation [Volume 3, Issue 4, 2015, Pages 299-304]
  • Defect DFT Study of Adsorption of Lithium on Si, Ge-doped Divacancy Defected Graphene as Anode Material of Li-ion Battery [Volume 6, Issue 4, 2018, Pages 871-878]
  • Deferasirox Interactions of Deferasirox as a Chelating Agent with Al and Ga Cations: A Theoretical Study on the [M(DFX)2]3- Nanostructures [Volume 6, Issue 1, 2018, Pages 67-82]
  • Degradation reaction Photoactivity Performance of TiO2/cellulose and ZnO/polystyrene; Intensified Effect of Oxidants on Degradation Efficiency of Acetaminophen [Volume 9, Issue 3, 2021, Pages 413-426]
  • Degree of sulfonation Methods of Recycling Expanded Polystyrene Waste: Synthesis and Characterization [Volume 11, Issue 4, 2023, Pages 943-951]
  • Denaturation How Do Palladium Complexes Affect on Coil Structure of Human Serum Albumin in the Presence of Carbon Nanotube? A Molecular Dynamics Study [Volume 4, Issue 1, 2016, Pages 47-60]
  • Density Measurement of Selected Thermophysical and Viscosity of Binary Mixtures of Nitromethane with 2-Propanol, 2-Butanol and 2-Pentanol [Volume 5, Issue 1, 2017, Pages 13-24]
  • Density Measurement of Thermophysical Properties of Pure and Mixture of Alkanolamines from 288.15-323.15 K [Volume 5, Issue 2, 2017, Pages 269-279]
  • Density Correlations and Predictions of THF + 2-Alkanol Binary Mixtures Behaviour by PC-SAFT Model and Friction Theory [Volume 6, Issue 3, 2018, Pages 599-612]
  • Density Study of Excess Properties of Binary and Ternary Mixtures of Trichloroethene, Ethanoic Acid, and N,N-Dimethylformamide at Different Temperatures [Volume 7, Issue 2, 2019, Pages 347-363]
  • Density Experimental and Modeling of Densities and Viscosities of Binary Mixtures Containing MTBE/Alkan-2-ol [Volume 7, Issue 2, 2019, Pages 365-374]
  • Density Density, Viscosity, Refractive Index and Excess Properties of Binary and Ternary Solutions of Poly (Ethylene Glycol), Sulfate Salts and Water at 298.15 K [Volume 7, Issue 4, 2019, Pages 859-884]
  • Density Density, Refractive Index, and Electrical Conductivity of Ternary Mixtures Containing 1,3-Butanediol + Sulfolane (TMS) + Perchlorate Salts at Different Temperatures and Atmospheric Pressure [Volume 10, Issue 3, 2022, Pages 363-378]
  • Density Excess Speed of Sound and Excess Molar Isentropic Compressibility in Binary Mixtures of Selected Amines in 2-Methoxy Ethanol at Various Temperatures [Volume 10, Issue 3, 2022, Pages 379-390]
  • Density Volumetric Properties of Nanofluids by a Perturbed Hard-sphere Chain Equation of State [Volume 11, Issue 4, 2023, Pages 735-745]
  • Density Thermophysical Study of Ethylene Glycol + H2O and Ethylene Glycol + (DMF/H2O) at 298.15 K [Volume 11, Issue 4, 2023, Pages 889-896]
  • Density Metal-Containing Ionic Liquids: Anion and Cation Contribution on Thermo-Physical Parameters [Volume 12, Issue 1, 2024, Pages 175-187]
  • Density functional theory Computational Study on the Energetic and Electronic Aspects of Tautomeric Equilibria in 5-methylthio-1,2,4-triazole [Volume 1, Issue 2, 2013, Pages 175-184]
  • Density functional theory A Theoretical Study on the Structure-Radical Scavenging Activity of Some Hydroxyphenols [Volume 4, Issue 1, 2016, Pages 73-82]
  • Density functional theory Halogenated Graphdiyne and Graphyne Single Layers: A Systematic Study [Volume 4, Issue 2, 2016, Pages 231-243]
  • Density functional theory Density and Polarization Profiles of Dipolar Hard Ellipsoids Confined between Hard Walls: A Density Functional Theory Approach [Volume 5, Issue 1, 2017, Pages 153-166]
  • Density functional theory Hydrogen Adsorption on (5,0) and (3,3) Na-decorated BNNTs [Volume 5, Issue 3, 2017, Pages 447-463]
  • Density functional theory Surface Tension Prediction of n-Alkanes by a Modified Peng-Robinson Equation of State Using the Density Functional Theory [Volume 5, Issue 3, 2017, Pages 569-583]
  • Density functional theory Theoretical Investigation of the Reaction Mechanism for a Type of N-heterocyclic Compound Involving Mono-N-aryl-3-aminodihydropyrrol [Volume 5, Issue 4, 2017, Pages 755-769]
  • Density functional theory N-Heterocyclic Plumbylenes (NHPbs) at Theoretical Levels [Volume 5, Issue 4, 2017, Pages 819-830]
  • Density functional theory DFT Study of N-hydroxyurea Adsorption Behavior onto Pristine and Iron-doped Single-walled Carbon Nanotube [Volume 6, Issue 1, 2018, Pages 115-132]
  • Density functional theory Theoretical Study on Structure and Electronic Properties of Aniline-5-Membered Heterocyclic Co-oligomers [Volume 6, Issue 3, 2018, Pages 463-478]
  • Density functional theory Structural and Electronic Properties of Novel π-Conjugated Aniline-based Oligomers: A Computational Study [Volume 6, Issue 3, 2018, Pages 583-598]
  • Density functional theory Investigating the Effect of Doping Graphene with Silicon in the Adsorption of Alanine by Density Functional Theory [Volume 6, Issue 3, 2018, Pages 639-655]
  • Density functional theory Substituent Effects on the Structural and Nonlinear Optical Properties of 1-[4-({(E)-[4-(methylsulfanyl)phenyl]methylidene}amino)phenyl]ethanone and Some of its Substituted Derivatives- a Theoretical Method [Volume 6, Issue 3, 2018, Pages 667-683]
  • Density functional theory Experimental and Theoretical Investigation of Corrosion Inhibitive Potentials of (E)-4-hydroxy-3-[(2,4,6-tribromophenyl)diazenyl]benzaldehyde on Mild Steel in Acidic Media [Volume 8, Issue 3, 2020, Pages 399-416]
  • Density functional theory TD-DFT, NBO, AIM, RDG and Thermodynamic Studies of Interactions of 5-Fluorouracil Drug with Pristine and P-doped Al12N12 Nanocage [Volume 8, Issue 3, 2020, Pages 511-527]
  • Density functional theory Spectroscopic and DFT Investigations on Some New Aryl (trichloroacetyl)carbamate Derivatives [Volume 8, Issue 4, 2020, Pages 705-718]
  • Density functional theory Detection of Cyanogen Halides by B36 Nanocluster: DFT Study [Volume 9, Issue 1, 2021, Pages 107-121]
  • Density functional theory Computational Investigation of Polo-like Kinase 1 (plk1): Inhibitive Potential of Benzimidazole-Carbonamide Derivatives for Cancer Treatment [Volume 12, Issue 2, 2024, Pages 333-348]
  • Density functional theory (DFT) Sulfur Dioxide Internal and External Adsorption on the Single-Walled Carbon Nanotubes: DFT Study [Volume 2, Issue 1, 2014, Pages 30-40]
  • Density functional theory (DFT) A First-Principles Study on Interaction between Carbon Nanotubes (10,10) and Gallates Derivatives as Vehicles for Drug Delivery [Volume 5, Issue 2, 2017, Pages 367-375]
  • Density functional theory (DFT) Adsorption Behavior, Electronical and Thermodynamic Properties of Ornidazole Drug on C60 Fullerene Doped with Si, B and Al: A Quantum Mechanical Simulation [Volume 9, Issue 1, 2021, Pages 151-164]
  • Density functional theory (DFT) Photocatalytic and Optical Performances of CeO2 by Substitution of Titanium [Volume 9, Issue 4, 2021, Pages 553-564]
  • Density functional theory:Half-metals First Principle Study of MC (M= Al, Ga, and In) at Equilibrium and under Negative Stress [Volume 1, Issue 2, 2013, Pages 99-103]
  • Density gradient theory Predicting the Surface Tension of Refrigerants from Density Gradient Theory and Perturbed Hard-sphere Equation of State [Volume 9, Issue 4, 2021, Pages 661-671]
  • Density of state Sensing Performance of Sc-doped B12N12 Nanocage for Detecting Toxic Cyanogen Gas: A Computational Study [Volume 4, Issue 3, 2016, Pages 315-332]
  • Density of states Theoretical Calculations of the Effect of Finite Length on the Structural Properties of Pristine and Nitrogen-doped Carbon Nanotubes [Volume 4, Issue 3, 2016, Pages 451-467]
  • Density of states (DOSs) Photocatalytic and Optical Performances of CeO2 by Substitution of Titanium [Volume 9, Issue 4, 2021, Pages 553-564]
  • Density profile Density and Polarization Profiles of Dipolar Hard Ellipsoids Confined between Hard Walls: A Density Functional Theory Approach [Volume 5, Issue 1, 2017, Pages 153-166]
  • Density profile Surface Tension Prediction of n-Alkanes by a Modified Peng-Robinson Equation of State Using the Density Functional Theory [Volume 5, Issue 3, 2017, Pages 569-583]
  • DER 736 Preparation and Characterization of a Novel Biodegradable Epoxy Resin Modified with Epoxidized Oleic Acid [Volume 5, Issue 4, 2017, Pages 629-641]
  • Descriptors Quantitative Structure Activity Relationship Analysis of Coumarins as Free Radical Scavengers by Genetic Function Algorithm [Volume 6, Issue 1, 2018, Pages 209-223]
  • Descriptors A Novel QSAR Model for the Evaluation and Prediction of (E)-N’-Benzylideneisonicotinohydrazide Derivatives as the Potent Anti-mycobacterium Tuberculosis Antibodies Using Genetic Function Approach [Volume 6, Issue 3, 2018, Pages 479-492]
  • Detergent Triton™ X-100 Behaves Similarly to Tyrosine-Containing and Tryptophan-Free Proteins in UV-Vis Spectroscopy [Volume 9, Issue 2, 2021, Pages 253-260]
  • Deviation Computational Study of Debye Temperature for Liquid Mixtures-Thermal Energy Variations [Volume 8, Issue 1, 2020, Pages 167-173]
  • Deviation Estimation of Viscosities and Their Deviations in Organic Liquid Mixtures at 303.15 K-A Comparative Study [Volume 8, Issue 2, 2020, Pages 365-372]
  • DFT Does One-third Scheme of PBE0 Functional Dominate Over PBE0 for Electronic Properties of Transition Metal Compounds? [Volume 1, Issue 2, 2013, Pages 104-110]
  • DFT A theoretical survey on strength and characteristics of F•••F, Br•••O and Br•••Br interactions in solid phase [Volume 1, Issue 2, 2013, Pages 142-151]
  • DFT Mutual interplay between interactions of pi electrons with simultaneous σ-hole interactions: A computational Study [Volume 2, Issue 1, 2014, Pages 1-10]
  • DFT The DFT chemical investigations of optoelectronic and photovoltaic properties of short-chain conjugated molecules [Volume 2, Issue 1, 2014, Pages 11-20]
  • DFT Conformational analysis of N- and C-terminally protected tripeptide model glycyl-isoleucine-glycyl: An ab initio and DFT study [Volume 2, Issue 1, 2014, Pages 68-75]
  • DFT QSAR Studies of the Dioxins and Interaction of OCDD with Calix[4] Arene Using DFT [Volume 3, Issue 3, 2015, Pages 247-264]
  • DFT The Interaction of HCN Gas on the Surface of Pristine, Ga, N and GaN-Doped (4,4) Armchair Models of BPNTs: A Computational Approach [Volume 3, Issue 4, 2015, Pages 265-277]
  • DFT The Nature of Halogen Bonds in [N∙∙∙X∙∙∙N]+ Complexes: A Theoretical Study [Volume 4, Issue 1, 2016, Pages 1-15]
  • DFT Optical Properties of Some Oligothiophene Derivatives: DFT Study [Volume 4, Issue 1, 2016, Pages 35-46]
  • DFT Sensing Performance of Sc-doped B12N12 Nanocage for Detecting Toxic Cyanogen Gas: A Computational Study [Volume 4, Issue 3, 2016, Pages 315-332]
  • DFT Accountability of Modern Adiabatic Connection-Based Double-Hybrids Constructed from Cubic and Quadratic Integrand Functions for Dipole Polarizabilities of Water Nanoclusters [Volume 4, Issue 3, 2016, Pages 469-477]
  • DFT DFT Study of Nitrous Oxide Adsorption on the Surface of Pt-Decorated Graphene [Volume 4, Issue 4, 2016, Pages 619-626]
  • DFT HNO Detection by Nanosized B12N12 Cage: A DFT/TDDFT Study [Volume 4, Issue 4, 2016, Pages 693-706]
  • DFT Coordination and Siting of Cu+ Ion Adsorbed into Silicalite-2 Porous Structure: A Density Functional Theory Study [Volume 5, Issue 1, 2017, Pages 135-152]
  • DFT A Density Functional Theory Investigation of d8 Transition Metal(II) (Ni, Pd, Pt) Chloride Complexes of Some Vic-dioximes Derivatives [Volume 5, Issue 4, 2017, Pages 737-754]
  • DFT DFT Studies and Topological Analyses of Electron Density on Acetophenone and Propiophenone Thiosemicarbazone Derivatives as Covalent Inhibitors of Falcipain-2, a Major Plasmodium Falciparum Cysteine Protease [Volume 5, Issue 4, 2017, Pages 795-817]
  • DFT Interaction of HCN Molecule with the Pristine and Al, S and Al & S Doped Beryllium Oxide Nanotube: A Computational Study [Volume 6, Issue 1, 2018, Pages 31-43]
  • DFT Theoretical Study of the Correlation between 14N NQCC and Its Partial Atomic Charge in Amino Derivatives of Adamantane [Volume 6, Issue 1, 2018, Pages 133-142]
  • DFT Experimental and Theoretical Studies on a Derivative of Tetrahydro-1H-Benzodiazepine [Volume 6, Issue 3, 2018, Pages 505-519]
  • DFT DFT Study of Adsorption of Lithium on Si, Ge-doped Divacancy Defected Graphene as Anode Material of Li-ion Battery [Volume 6, Issue 4, 2018, Pages 871-878]
  • DFT Spectroscopic and FMO Studies of Cholesteryl Stereate Complexes for Electrooptical Activity [Volume 7, Issue 1, 2019, Pages 27-36]
  • DFT Influence of Surface Heterogeneities on Complexation of Ethylene with Active Sites of NiMCM-41 Nanocatalyst: A Density Functional Theory Study [Volume 7, Issue 2, 2019, Pages 235-243]
  • DFT Molecular Interactions of MeOH and EtOH with Black Phosphorus Monolayer: A Periodic Density Functional Study [Volume 7, Issue 2, 2019, Pages 435-447]
  • DFT Novel N-heterocyclic Stannylenes (NHSns) Using DFT [Volume 7, Issue 3, 2019, Pages 511-521]
  • DFT Pharmaceutical Nickel(II) Chelation Properties of 3-Hydroxyflaven, Deferiprone and Maltol Metal Chelators: A Density Functional Study [Volume 8, Issue 1, 2020, Pages 91-110]
  • DFT Inhibition of Cyclooxygenase-2 and Thymidylate Synthase by Dietary Sphingomyelins: Insights from DFT and Molecular Docking Studies [Volume 8, Issue 2, 2020, Pages 297-311]
  • DFT Modification of PVC with 1-Vinylimidazole for CO2/CH4 Separation: Sorption, Permeation and DFT Studies [Volume 8, Issue 4, 2020, Pages 689-703]
  • DFT Structural, Spectroscopic (UV-Vis and IR), Electronic and Chemical Reactivity Studies of (3,5-Diphenyl-4,5-dihydro-1H-pyrazol-1-yl)(phenyl)methanone [Volume 9, Issue 2, 2021, Pages 193-209]
  • DFT Comparative Study of Glyphosate Adsorption on Armchair CNT(5.5) and BNNT(5.5): A DFT Study [Volume 9, Issue 3, 2021, Pages 373-384]
  • DFT Pharmacokinetics and Molecular Docking Studies of Uridine Derivatives as SARS-COV-2 Mpro Inhibitors [Volume 9, Issue 3, 2021, Pages 385-412]
  • DFT The Electronic Response of Pristine, Si, and Al-doped B12N12 Nanocage to an Ecstasy Drug: A DFT Study [Volume 9, Issue 4, 2021, Pages 623-636]
  • DFT Theoretical Investigation on Inclusion Complex of (s)-2-Isopropyl-1-(o-nitrophenyl) Sulfonyl) Aziridine with β-Cyclodextrin [Volume 10, Issue 1, 2022, Pages 69-87]
  • DFT The Effects of the Ionic Field Strength of Be2+, Mg2+, and Ca2+ and a Static Electric Field (SEF) on the Interaction Between Prothionamide and B12P12 Nanocage: A DFT and TD-DFT Study [Volume 10, Issue 1, 2022, Pages 89-104]
  • DFT Synthesized of Novel Imidazole-derived Schiff Base as a Corrosion Inhibitor of Carbon Steel in Acidic Medium Supported by Electrochemical and DFT Studies [Volume 10, Issue 2, 2022, Pages 179-194]
  • DFT Experimental and Theoretical Spectroscopic Studies of the Electronic Structure of 2-Ethyl-2-phenylmalonamide [Volume 10, Issue 3, 2022, Pages 333-344]
  • DFT New Insights in the Use of Boron Nitrogen Nanotubes as Cisplatin Nanovector [Volume 11, Issue 2, 2023, Pages 253-265]
  • DFT Insights into the Electronic Properties of Coumarins: A Comparative Study Synthesis, Characterization, and Theoretical Study of New Peptides Obtained by Opening Reactions of Sulfahydantoins [Volume 11, Issue 2, 2023, Pages 341-352]
  • DFT Identification of a Potential Thiazole Inhibitor Against Biofilms by 3D QSAR, Molecular Docking, DFT Analysis, MM-PBSA Binding Energy Calculations, and Molecular Dynamics Simulation [Volume 11, Issue 2, 2023, Pages 369-389]
  • DFT A Comparative Study Through DFT Investigation and Molecular Docking Studies of Potential Dietary Phytochemicals Against Cancer Target-DNA Topoisomerase III [Volume 11, Issue 2, 2023, Pages 391-408]
  • DFT Reactivity of Isothiasole with Dibromine and Sulfuryl Chloride [Volume 11, Issue 3, 2023, Pages 511-525]
  • DFT DFT Study on the Carcinogenicity of some Common Polycyclic Aromatic Hydrocarbons (PAH) [Volume 11, Issue 3, 2023, Pages 537-548]
  • DFT Quantum Calculations of some Electronic and Structural Parameters for the System of Vitamin C and Different Sulfoxide Solvents [Volume 11, Issue 3, 2023, Pages 643-651]
  • DFT Spectroscopic, Structural and Molecular Docking Studies on N,N-Dimethyl-2-[6-methyl-2-(4-methylphenyl) Imidazo[1,2-a]pyridin-3-yl] Acetamide [Volume 12, Issue 1, 2024, Pages 95-107]
  • DFT Exploring the Potential of Quantum Chemical Calculations for Synthesized Quinazoline Derivatives as Superior Corrosion Inhibitors in Acidic Environment [Volume 12, Issue 1, 2024, Pages 205-217]
  • DFT In Silico Studies on the Molecular Geometry, FMO, Mulliken Charges, MESP, ADME and Molecular Docking Prediction of Pyrogallol Carboxaldehydes as Potential Anti-tumour Agents [Volume 12, Issue 2, 2024, Pages 305-320]
  • DFT calculation DFT Studies on Molecular Structure, Absorption properties, NBO Analysis, and Hirshfeld Surface Analysis of Iron(III) Porphyrin Complex [Volume 9, Issue 4, 2021, Pages 701-713]
  • DFT calculation COMPUTATIONAL INVESTIGATION OF GENIPOSIDIC ACID AS AN ANTICANCER AGENT USING MOLECULAR DOCKING, MOLECULAR DYNAMIC SIMULATION, DFT CALCULATION, AND OSIRIS-MOLINSPIRATION PROFILING [Volume 11, Issue 4, 2023, Pages 801-823]
  • DFT calculations First-order Nonlinear Optical Response of C2Bn-2H n-1X (n = 14-17; X = H, Li, Na, K, F, Cl, Br) Carboranes: Insights from DFT and TD-DFT Calculations [Volume 8, Issue 3, 2020, Pages 529-542]
  • DFT calculations Molecular Dynamics Simulation of Phosphorus Trichloride (PCl3) and Phosphorus Triiodide (PI3) Liquids by Using the Force-fields Derived from a Quantum Chemical Approach [Volume 9, Issue 3, 2021, Pages 509-523]
  • DFT calculations A DFT Study of Hydrogen Adsorption on Metallic Platinum: Associative or Dissociative Adsorption [Volume 11, Issue 3, 2023, Pages 527-536]
  • DFT computation Bonding of Phosphoramides onto B-C59 Nanostructure as Drug Delivery Systems [Volume 6, Issue 1, 2018, Pages 15-29]
  • DFT investigation Theoretical and Experimental Study of the Orientation to the Most Effective Coagulant for Removing Reactive Black-5 Dye from Industrial Effluents [Volume 12, Issue 1, 2024, Pages 229-248]
  • DFT-M06/6-31++G** Computational Study of the Precursor Spectroelectrochemistry of Guanine [Volume 8, Issue 4, 2020, Pages 719-735]
  • DFT method Gallium and Arsenic doped on (4, 4) armchair and (8, 0) zigzag models of Boron phosphide nanotubes: NMR study [Volume 1, Issue 1, 2013, Pages 90-98]
  • DFT Methods Quantum Mechanical Study of some Intercalating and Groove Binding Anticancer Drugs with AT and GC Base Pair of DNA Nucleobase [Volume 9, Issue 4, 2021, Pages 673-688]
  • DFX Complexation of Modified Deferasirox with Iron Cation in Three-multiplicities: A Theoretical Study on the [SPION-APTMS-DFX-Fe] Nanostructure [Volume 9, Issue 1, 2021, Pages 31-42]
  • Dibromine Reactivity of Isothiasole with Dibromine and Sulfuryl Chloride [Volume 11, Issue 3, 2023, Pages 511-525]
  • Dichroic ratio Effect of Alkyl Tail on the Visible Spectra and Order Parameters S of some Azo N-Ester-1,8-naphthalimide(ANEN) Disperse Dyestuff [Volume 3, Issue 3, 2015, Pages 229-237]
  • Dickerson Molecular Dynamics Simulation of Crocin and Dimethylcrocetin Interactions with DNA [Volume 6, Issue 4, 2018, Pages 825-838]
  • Diclofenac Efficient Removal of Diclofenac from Pharmaceutical Wastewater Using Impregnated Zeolite Catalyst in Heterogeneous Fenton Process [Volume 7, Issue 1, 2019, Pages 37-52]
  • Diesel Engines Effects of Ethanol Fumigation on the Performance and Emissions of Diesel Engines [Volume 12, Issue 1, 2024, Pages 135-144]
  • Diesel exhaust particles Heat-Refluxextraction (HRE) and GC/MS Analysis of Polycyclic Aromatic Hydrocarbons and Their Nitrted Derivatives Adsorbed on Diesel Combustion Engine Prticles [Volume 11, Issue 2, 2023, Pages 203-219]
  • Dietary phytochemicals A Comparative Study Through DFT Investigation and Molecular Docking Studies of Potential Dietary Phytochemicals Against Cancer Target-DNA Topoisomerase III [Volume 11, Issue 2, 2023, Pages 391-408]
  • Different percentages of copper Influence of Different Percentages of Copper on the Size and Optical Properties of Ag-Cu Nanoparticles Formed by Wet-Chemical Method [Volume 3, Issue 4, 2015, Pages 331-339]
  • Diffuse reflectance spectroscopy Structural, Optical, and Luminescence Studies of Sm2O3-Doped Cd2Sr(PO4)2 Nanopowder [Volume 11, Issue 3, 2023, Pages 501-510]
  • Diffusion Adsorption Behaviour of Reactive Black Dye 5 by Magnetically Separable Nano-adsorbent [Volume 7, Issue 3, 2019, Pages 475-490]
  • Dihydroorotate dehydrogenase Structural Insight into 2-Aryl-4-Quinoline Carboxylic Acid-Based Dihydroorotate Dehydrogenase (DHODH) and its Potential Anti-SARS-CoV-2 Activity Through Pharmacophore Modeling, Multidimensional QSAR, ADME, and Docking Studies [Volume 11, Issue 4, 2023, Pages 783-800]
  • Dimethylcrocetin Molecular Dynamics Simulation of Crocin and Dimethylcrocetin Interactions with DNA [Volume 6, Issue 4, 2018, Pages 825-838]
  • Dimethyl ether Two-level Full Factorial Design for Selectivity Modeling and Studying Simultaneous Effects of Temperature and Ethanol Concentration in Methanol Dehydration Reaction [Volume 5, Issue 1, 2017, Pages 41-56]
  • Dimethyl Formamide Thermophysical Study of Ethylene Glycol + H2O and Ethylene Glycol + (DMF/H2O) at 298.15 K [Volume 11, Issue 4, 2023, Pages 889-896]
  • Dimethylsulfoxide Estimating the Acoustical Parameters and Molecular Interactions of n-Butylammonium perchlorate in Mixed Organic Solvents in the Temperature Range 298-328 K [Volume 8, Issue 4, 2020, Pages 737-753]
  • Diminutive Cooperative and Diminutive Interplay between Halogen, Hydride and Cation-σ Interactions [Volume 4, Issue 4, 2016, Pages 583-589]
  • Dinuclear zinc metallo-β-lactamase Quantum Mechanical Approach for the Catalytic Mechanism of Dinuclear Zinc Metallo-β-lactamase by Penicillin and Cephalexin: Kinetic and Thermodynamic Points of View [Volume 5, Issue 4, 2017, Pages 709-725]
  • Dipolar hard ellipsoids Density and Polarization Profiles of Dipolar Hard Ellipsoids Confined between Hard Walls: A Density Functional Theory Approach [Volume 5, Issue 1, 2017, Pages 153-166]
  • Dipole moment Hydrogen Adsorption on (5,0) and (3,3) Na-decorated BNNTs [Volume 5, Issue 3, 2017, Pages 447-463]
  • Direct-potential-fit Empirical Potential Energy Curve for the Ground State of CaH from a Multi-isotopologue Direct Potential Fit Analysis [Volume 5, Issue 4, 2017, Pages 643-658]
  • Direct red 80 TiO2@CoFe2O4 Nanofiber for the Photocatalytic Degradation of Direct Red 80 [Volume 7, Issue 2, 2019, Pages 309-325]
  • Discoloration Treatment and Degradation of Azo Dye Waste Industry by Electro-Fenton Process [Volume 10, Issue 4, 2022, Pages 495-504]
  • Dispersant Impact of Oil Viscosity on Carbon Stabilization Using Polyisobutylene Succinimide (PIBSI) Dispersant [Volume 12, Issue 1, 2024, Pages 85-93]
  • Dispersion interaction Selective Binding of Cyclic Nanopeptide with Halides and Ion Pairs; a DFT-D3 Study [Volume 5, Issue 3, 2017, Pages 425-437]
  • Dissolution thermodynamics Solubility of Lamotrigine in Polyethylene Glycol 400 + 2-Propanol Mixtures at Different Temperatures [Volume 11, Issue 3, 2023, Pages 675-682]
  • DLS Nano Particle CORONA Formation; Rather than Proteins [Volume 7, Issue 4, 2019, Pages 849-857]
  • DMPC Molecular Insight into the Mutual Interactions of Two Transmembrane Domains of Human Glycine Receptor (TM23-GlyR), with the Lipid Bilayers [Volume 8, Issue 3, 2020, Pages 373-397]
  • DMTAP Molecular Insight into the Mutual Interactions of Two Transmembrane Domains of Human Glycine Receptor (TM23-GlyR), with the Lipid Bilayers [Volume 8, Issue 3, 2020, Pages 373-397]
  • DNA Dual-Target Anticancer Drug Candidates: Rational Design and Simulation Studies [Volume 3, Issue 2, 2015, Pages 125-143]
  • DNA A Study on the Aggregation and Calf Thymus DNA Binding Characteristics of Anionic Cobalt(II) Tetrasulfonated Phthalocyanine [Volume 4, Issue 1, 2016, Pages 83-94]
  • DNA Molecular Dynamics Simulation of Crocin and Dimethylcrocetin Interactions with DNA [Volume 6, Issue 4, 2018, Pages 825-838]
  • DNA nucleobase Nature of Lithium Interactions with DNA Nucleobases: Theoretical Study [Volume 2, Issue 2, 2014, Pages 229-243]
  • DNA nucleobase Quantum Mechanical Study of some Intercalating and Groove Binding Anticancer Drugs with AT and GC Base Pair of DNA Nucleobase [Volume 9, Issue 4, 2021, Pages 673-688]
  • DNA topoisomerase III beta A Comparative Study Through DFT Investigation and Molecular Docking Studies of Potential Dietary Phytochemicals Against Cancer Target-DNA Topoisomerase III [Volume 11, Issue 2, 2023, Pages 391-408]
  • Docking Molecular Interaction of Benzalkonium Ibuprofenate and its Discrete Ingredients with Human Serum Albumin [Volume 1, Issue 2, 2013, Pages 111-116]
  • Docking QSAR, Docking and Molecular Dynamics Studies on the Piperidone-grafted Mono- and Bis-spiro-oxindole-hexahydropyrrolizines as Potent Butyrylcholinesterase Inhibitors [Volume 6, Issue 4, 2018, Pages 685-711]
  • Docking Tacrine-Flavonoid Quercetin Hybride as a MTDL Ligand against Alzheimer’s Disease with Metal Chelating and AChE, BChE, AChE-induced Aβ Aggregation Inhibition Properties: A Computational Study [Volume 7, Issue 3, 2019, Pages 561-579]
  • Docking An Approach to Increase the Efficiency of Uricase by Computational Mutagenesis [Volume 11, Issue 3, 2023, Pages 481-491]
  • Docking molecular Identification of a Potential Thiazole Inhibitor Against Biofilms by 3D QSAR, Molecular Docking, DFT Analysis, MM-PBSA Binding Energy Calculations, and Molecular Dynamics Simulation [Volume 11, Issue 2, 2023, Pages 369-389]
  • Donor materials First-Principles Study on Optoelectronic and Photovoltaic Properties in a P3HT/PCBM Complex [Volume 11, Issue 2, 2023, Pages 299-313]
  • Dopamine Putative Binding Sites of Dopamine and Arachidonoyl Dopamine to Beta-lactoglobulin: A Molecular Docking and Molecular Dynamics Study [Volume 5, Issue 2, 2017, Pages 205-219]
  • Dopamine Biosynthesis of Silver Nanoparticles Using Leaves of Acacia Melanoxylon and their Application as Dopamine and Hydrogen Peroxide Sensors [Volume 8, Issue 1, 2020, Pages 1-18]
  • Doped functionalized C60 fullerenes A DFT Study on Adsorption of Alanine on Pristine, Functionalized and Boron and/or Nitrogen Doped Functionalized C60 Fullerenes [Volume 8, Issue 4, 2020, Pages 657-669]
  • Doping Adsorption Behavior, Electronical and Thermodynamic Properties of Ornidazole Drug on C60 Fullerene Doped with Si, B and Al: A Quantum Mechanical Simulation [Volume 9, Issue 1, 2021, Pages 151-164]
  • DoS HNO Detection by Nanosized B12N12 Cage: A DFT/TDDFT Study [Volume 4, Issue 4, 2016, Pages 693-706]
  • Dosulepin Theoretical Studies of the Vibrational Spectra and Molecular Structures of Dosulepin and Doxepin [Volume 4, Issue 2, 2016, Pages 245-270]
  • Double-hybrid Accountability of Modern Adiabatic Connection-Based Double-Hybrids Constructed from Cubic and Quadratic Integrand Functions for Dipole Polarizabilities of Water Nanoclusters [Volume 4, Issue 3, 2016, Pages 469-477]
  • Doxepin Theoretical Studies of the Vibrational Spectra and Molecular Structures of Dosulepin and Doxepin [Volume 4, Issue 2, 2016, Pages 245-270]
  • DPPC Molecular Insight into the Mutual Interactions of Two Transmembrane Domains of Human Glycine Receptor (TM23-GlyR), with the Lipid Bilayers [Volume 8, Issue 3, 2020, Pages 373-397]
  • DRS Structural, Morphological, and Optical Studies of ZnS-MoS2 Nanocomposite via Hydrothermal Route [Volume 10, Issue 2, 2022, Pages 293-300]
  • Drug binding The Influence of 6-Shogaol, a Therapeutic Agent of Zingiber Officinale, on the Interaction of Ciprofloxacin with Bovine Serum Albumin [Volume 9, Issue 3, 2021, Pages 525-538]
  • Drug Delivery A Thermodynamic Study of the Interactions between Acetamide Derivatives and PCA-PEG-PCA Copolymers: ONIOM Calculations [Volume 2, Issue 2, 2014, Pages 131-136]
  • Drug Delivery Studies on the Interaction between Derivatives of 9-Aacridinyl Amino Acid as Anticancer Drugs and Functionalized Carbon Nanotubes: ONIOM2-PCM Approach [Volume 9, Issue 1, 2021, Pages 99-106]
  • Drug Delivery Density Functional Theory Study of the Reaction Behavior Histidine Modified Polyamidoamine Dendrimer as Nanocarrier for Delivery of Ectoine Drug [Volume 10, Issue 2, 2022, Pages 225-236]
  • Drug delivery system Bonding of Phosphoramides onto B-C59 Nanostructure as Drug Delivery Systems [Volume 6, Issue 1, 2018, Pages 15-29]
  • Drug design Biological Applications of Isothermal Titration Calorimetry [Volume 3, Issue 4, 2015, Pages 319-330]
  • Drug design Molecular Docking Based on Virtual Screening, Molecular Dynamics and Atoms in Molecules Studies to Identify the Potential Human Epidermal Receptor 2 Intracellular Domain Inhibitors [Volume 6, Issue 1, 2018, Pages 83-103]
  • Drug release Grafting Drugs to Functionalized Single-wall Carbon Nanotubes as a Potential Method for Drug Delivery [Volume 9, Issue 1, 2021, Pages 57-68]
  • Drug residue Photoactivity Performance of TiO2/cellulose and ZnO/polystyrene; Intensified Effect of Oxidants on Degradation Efficiency of Acetaminophen [Volume 9, Issue 3, 2021, Pages 413-426]
  • Dual-target Dual-Target Anticancer Drug Candidates: Rational Design and Simulation Studies [Volume 3, Issue 2, 2015, Pages 125-143]
  • Dye Molecular Development of Silver Nanoparticles-loaded Poly Acrylic Acid Hydrogel as a Catalyst for Dye Degradation [Volume 6, Issue 4, 2018, Pages 857-869]
  • Dye Application of Agricultural Wastes as a Low-cost Adsorbent for Removal of Heavy Metals and Dyes from Wastewater: A Review Study [Volume 9, Issue 2, 2021, Pages 211-226]
  • Dye RSM Optimized Adsorption of Eriochrome Black T Dye onto Alumina Nanoprticles: Isotherm and Kinetics Studies [Volume 11, Issue 2, 2023, Pages 315-326]
  • Dye removal Removal of Methyl Orange from Aqueous Solutions by Ferromagnetic Fe/Ni Nanoparticles [Volume 6, Issue 2, 2018, Pages 433-446]
  • Dye removal Spectral, Isotherm, Kinetic, and Thermodynamic Studies of Malachite Green Dye Adsorption from Aqueous Solutions onto Low-cost Treated Kaolin [Volume 12, Issue 1, 2024, Pages 47-60]
  • Dye removal Theoretical and Experimental Study of the Orientation to the Most Effective Coagulant for Removing Reactive Black-5 Dye from Industrial Effluents [Volume 12, Issue 1, 2024, Pages 229-248]
  • Dye-sensitized solar cell Synthesis of Zinc Oxide Nanoparticles by Citrus Limon as an Effective Photoanode for Dye-Sensitized Solar Cells [Volume 12, Issue 2, 2024, Pages 383-392]
  • Dye-sensitized solar cells Effect of Temperature and Electrode Thickness on the Performance of Dye-Sensitized Solar Cells [Volume 10, Issue 1, 2022, Pages 23-30]
  • Dye-surfactant interactions Influence of a Crown Ether on the Spectral Properties of Triarylmethane Dyes in Aqueous and Micellar Environments [Volume 1, Issue 1, 2013, Pages 52-60]
  • Dynamic viscosity A Numerical Investigation of the Thermal Transport Properties of Argon + Hydrogen Plasma Working Gases in the Presence of Various TiO2 Precursor Solutions [Volume 11, Issue 4, 2023, Pages 897-912]

E

  • EDA Interplay Between Lithium Bonding and Halogen Bonding in F3CX•••YLi•••NCCN and F3CX•••NCCN•••LiY Complexes (X = Cl, Br; Y = CN, NC) [Volume 2, Issue 2, 2014, Pages 171-178]
  • EDA Microsolvation of NO2+ in Helium: An Ab Initio Study on NO2+-Hen Clusters (n ≤ 7) [Volume 4, Issue 1, 2016, Pages 109-117]
  • EDAX Structural, Optical, and Magnetic Studies of Palladium (Pd) Doped Cerium Oxide (CeO2) Nano Particles [Volume 12, Issue 2, 2024, Pages 407-417]
  • EDX Removal of Manganese(II) from Aqueous Solution by Chemically Activated Thuja Occidentalis Leaves Carbon (CATLC) as an Adsorbent: Adsorption Equilibrium and Kinetic Studies [Volume 7, Issue 1, 2019, Pages 11-26]
  • EFG Theoretical Study of the Correlation between 14N NQCC and Its Partial Atomic Charge in Amino Derivatives of Adamantane [Volume 6, Issue 1, 2018, Pages 133-142]
  • EIS Inhibiting Performance of Rivaroxaban Against Corrosion of Mild Steel in 1.0 M HCl Solution [Volume 12, Issue 2, 2024, Pages 515-524]
  • Electric field effect Functionalization of the Single-walled Carbon Nanotubes by Sulfur Dioxide and Electric Field Effect, a Theoretical Study on the Mechanism [Volume 4, Issue 4, 2016, Pages 553-565]
  • Electrocatalysis Electrochemical Evaluation of the Catalytic Effect of Natural Phosphate on the Oxidation of Aascorbic Acid: Analytical Application in Human Blood [Volume 9, Issue 1, 2021, Pages 85-98]
  • Electrochemical Impedance Spectroscopy (EIS) Mentha spicata L. Extract as a Green Corrosion Inhibitor for Carbon Steel in HCl Solution [Volume 5, Issue 2, 2017, Pages 293-307]
  • Electrochemical noise Detecting pitting corrosion and its severity using wavelet entropy in electrochemical noise measurement [Volume 2, Issue 1, 2014, Pages 116-122]
  • Electrochemical noise (EN) Mentha spicata L. Extract as a Green Corrosion Inhibitor for Carbon Steel in HCl Solution [Volume 5, Issue 2, 2017, Pages 293-307]
  • Electrode Effect of Temperature and Electrode Thickness on the Performance of Dye-Sensitized Solar Cells [Volume 10, Issue 1, 2022, Pages 23-30]
  • Electrode material Treatment and Degradation of Azo Dye Waste Industry by Electro-Fenton Process [Volume 10, Issue 4, 2022, Pages 495-504]
  • Electrodeposition Removal of Azo Dye Calcon Using Polyaniline Films Electrodeposited on SnO2 Substrate [Volume 8, Issue 1, 2020, Pages 111-124]
  • Electro-Fenton Process Treatment and Degradation of Azo Dye Waste Industry by Electro-Fenton Process [Volume 10, Issue 4, 2022, Pages 495-504]
  • Electrolysis method Evaluation of Methyl Ester Production Using Cement as a Heterogeneous Catalyst [Volume 6, Issue 2, 2018, Pages 323-333]
  • Electrolyte solutions A Nonextensive Electrolyte UNIQUAC Model for Prediction of Mean Activity Coefficients of Binary Electrolyte Solutions [Volume 6, Issue 4, 2018, Pages 773-784]
  • Electro-magnetohydrodynamic The Effect of Nonlinear Thermal Radiation on EMHD Casson Nanofluid over a Stretchable Riga Plate with Temperature-Dependent Viscosity and Chemical Reaction [Volume 12, Issue 1, 2024, Pages 157-173]
  • Electron gas The Thermodynamic Properties of Polarized Metallic Nanowire in the Presence of Magnetic Field [Volume 1, Issue 1, 2013, Pages 34-40]
  • Electronic band structure First Principle Study of MC (M= Al, Ga, and In) at Equilibrium and under Negative Stress [Volume 1, Issue 2, 2013, Pages 99-103]
  • Electronic properties Materials Based on Carbazole for Organic Solar Cells Applications. Theoretical Investigations [Volume 2, Issue 2, 2014, Pages 244-251]
  • Electronic properties Sensitivity of Perfect and Stone-Wales Defective BNNTs Toward NO Molecule: A DFT/M06-2X Approach [Volume 5, Issue 1, 2017, Pages 167-183]
  • Electronic Spatial Extent Theoretical study of magnetic susceptibility and optical activity of small molecules containing one chiral center [Volume 2, Issue 1, 2014, Pages 41-52]
  • Electron Microscopy Lanthania Colloidal Nanoparticles: Hydrothermal Synthesis, Structural, and Rheological Properties [Volume 4, Issue 2, 2016, Pages 143-151]
  • Electron relay effect Molecular Development of Silver Nanoparticles-loaded Poly Acrylic Acid Hydrogel as a Catalyst for Dye Degradation [Volume 6, Issue 4, 2018, Pages 857-869]
  • Electro-optical activity Spectroscopic and FMO Studies of Cholesteryl Stereate Complexes for Electrooptical Activity [Volume 7, Issue 1, 2019, Pages 27-36]
  • Electrophilicity index Theoretical and Experimental Study of the Orientation to the Most Effective Coagulant for Removing Reactive Black-5 Dye from Industrial Effluents [Volume 12, Issue 1, 2024, Pages 229-248]
  • Electrophysical properties An Investigation of the Electrophysical Properties of Composite Ceramic Materials Containing Nickel Nanoparticles [Volume 11, Issue 2, 2023, Pages 231-239]
  • Electrospinning method TiO2@CoFe2O4 Nanofiber for the Photocatalytic Degradation of Direct Red 80 [Volume 7, Issue 2, 2019, Pages 309-325]
  • Electrostatic interaction Ortho-phenylenediamine Based Bis-ureas as the Ion Selective Sensors; A QM/MD Study [Volume 7, Issue 4, 2019, Pages 785-797]
  • Electrostatic potential A theoretical survey on strength and characteristics of F•••F, Br•••O and Br•••Br interactions in solid phase [Volume 1, Issue 2, 2013, Pages 142-151]
  • Electrostatic potential. Average Local Ionization Energy Computational Study of the Correlation of in-vitro Antiviral Activities Against SARS-CoV-2 with Different Theoretical Descriptors [Volume 10, Issue 3, 2022, Pages 429-438]
  • Electrostatic potential (ESP) Computational study of the intramolecular proton transfer between 6-hydroxypicolinic acid tautomeric forms and intermolecular hydrogen bonding in their dimers [Volume 1, Issue 2, 2013, Pages 117-125]
  • Electrostatic potentials The Nature of Halogen Bonds in [N∙∙∙X∙∙∙N]+ Complexes: A Theoretical Study [Volume 4, Issue 1, 2016, Pages 1-15]
  • Electrosynthesis Effect of Synthesis Temperature on the Electrochemical Properties of Yttrium Aluminum Garnet [Volume 7, Issue 4, 2019, Pages 775-783]
  • Elementary processes Interaction of Electronically Excited CO(a^3 Π_r) Molecules with H, H2, and H2O: Potential Energy Surfaces and Reaction Kinetics [Volume 11, Issue 4, 2023, Pages 837-851]
  • Eley-Rideal Mechanism Discrimination for Bimolecular Reactions: Revisited with a Practical Hydrogenation Case Study [Volume 5, Issue 4, 2017, Pages 727-736]
  • Elman-ANN QSAR Study of Arylpyridone Oxime Based on the SVM and Elman Algorithms [Volume 8, Issue 2, 2020, Pages 215-223]
  • Emissions Spectra Enhanced Luminescence and Energy Transfer of Bi3+/Dy3+ Co-doped La2Zr2O7 Nanophosphors for pc-LED Applications [Volume 11, Issue 1, 2023, Pages 23-31]
  • Empirical An Accurate Correlation to Estimate Saturated Molar Volume of Liquids [Volume 4, Issue 3, 2016, Pages 479-488]
  • Empirical A Simple Equation for the Thermal Conductivity of Saturated Vapor Refrigerants [Volume 6, Issue 2, 2018, Pages 287-294]
  • Empirical An Empirical Correlation for Estimation of the Thermal Conductivity of Saturated Liquid Refrigerants [Volume 7, Issue 1, 2019, Pages 167-180]
  • Empirical Modeling Quality Parameters, Empirical and Kinetic Models of Lycopene and Beta-carotene Bioformation in Tomatoes (Solanum lycopersicum) [Volume 10, Issue 1, 2022, Pages 151-162]
  • Encapsulated ions The Effects of the Ionic Field Strength of Be2+, Mg2+, and Ca2+ and a Static Electric Field (SEF) on the Interaction Between Prothionamide and B12P12 Nanocage: A DFT and TD-DFT Study [Volume 10, Issue 1, 2022, Pages 89-104]
  • Energetic mixture Thermal Degradation Kinetic Study of a Fuel-rich Energetic Mixture Containing Epoxy Binder [Volume 4, Issue 3, 2016, Pages 369-378]
  • Energy fluctuations How the Nonextensivity Parameter Affects Energy Fluctuations [Volume 2, Issue 2, 2014, Pages 137-145]
  • Energy gap Sensitivity of Perfect and Stone-Wales Defective BNNTs Toward NO Molecule: A DFT/M06-2X Approach [Volume 5, Issue 1, 2017, Pages 167-183]
  • Energy gap (∆E) Theoretical Study on Glycosyl Group Effect on Antioxidant Ability of Chrysin Bioflavonoid [Volume 4, Issue 4, 2016, Pages 643-654]
  • Energy-transfer Enhanced Luminescence and Energy Transfer of Bi3+/Dy3+ Co-doped La2Zr2O7 Nanophosphors for pc-LED Applications [Volume 11, Issue 1, 2023, Pages 23-31]
  • Enhanced oil recovery Minimum Miscibility Pressure Using the Multiple Mixing-cell Combined with the PC-SAFT Equation of State [Volume 7, Issue 1, 2019, Pages 111-130]
  • Enhanced oil recovery Measuring Interfacial Tension Between Oil and Nano-Saline Solutions in the Presence of SiO2 or TiO2 at Low and Intermediate Pressures [Volume 10, Issue 2, 2022, Pages 163-171]
  • Enthalpy Calculation of Thermodynamic Parameters of [2.4.6] Three Nitro Toluene (TNT) with Nanostructures of Fullerene and Boron Nitride Nano-cages over Different Temperatures, Using Density Functional Theory [Volume 5, Issue 4, 2017, Pages 617-627]
  • Enthalpy Physicochemical Properties and Structural Analysis of Some Organic Solvent (OS)-Water Systems: A Quantum Mechanical Study [Volume 10, Issue 4, 2022, Pages 559-570]
  • Enthalpy-entropy compensation Conductometric Study of the Thermodynamics of Micellization of Sodium dodecylsulfate (SDS) in the Presence of Some Aromatic Ammonium Salts [Volume 5, Issue 3, 2017, Pages 531-540]
  • Enthalpy of binding Biological Applications of Isothermal Titration Calorimetry [Volume 3, Issue 4, 2015, Pages 319-330]
  • Entropy Detecting pitting corrosion and its severity using wavelet entropy in electrochemical noise measurement [Volume 2, Issue 1, 2014, Pages 116-122]
  • Enzymatic potency Silver Nanoparticle Trypsin Corona Formation and the Impacts on Enzymatic Potency [Volume 8, Issue 2, 2020, Pages 241-250]
  • Enzyme kinetics Biological Applications of Isothermal Titration Calorimetry [Volume 3, Issue 4, 2015, Pages 319-330]
  • Enzyme recycling Valorization of Rice Bran Fatty Acid Distillate: A Green Approach to Ethanol-Based Biodiesel Production Using Eversa® Transform as a Recyclable Catalyst [Volume 12, Issue 2, 2024, Pages 263-272]
  • EOS A New Thermodynamic Approach for Protein Partitioning in Reverse Micellar Solution [Volume 6, Issue 1, 2018, Pages 105-113]
  • Epoxidized oleic acid Preparation and Characterization of a Novel Biodegradable Epoxy Resin Modified with Epoxidized Oleic Acid [Volume 5, Issue 4, 2017, Pages 629-641]
  • Epoxy Thermal Degradation Kinetic Study of a Fuel-rich Energetic Mixture Containing Epoxy Binder [Volume 4, Issue 3, 2016, Pages 369-378]
  • Epoxy resin Preparation and Characterization of a Novel Biodegradable Epoxy Resin Modified with Epoxidized Oleic Acid [Volume 5, Issue 4, 2017, Pages 629-641]
  • EPR XRD, EPR and FT-IR Studies of Zinc Aluminium Lithium Borate (ZALB) Glases Doped with Cu2+ Ions [Volume 10, Issue 4, 2022, Pages 455-460]
  • Equation An Accurate Correlation to Estimate Saturated Molar Volume of Liquids [Volume 4, Issue 3, 2016, Pages 479-488]
  • Equation of deactivation rate Determination of the Deactivation Model of Iron-potassium/γ-Al2O3 Catalyst in a Fixed Bed Reactor [Volume 6, Issue 2, 2018, Pages 365-375]
  • Equation of state Liquid Density Modeling of Pure Refrigerants Using Four Lattice-Hole Theory Based Equations of State [Volume 4, Issue 1, 2016, Pages 17-33]
  • Equation of state Application of GMA Equation of State to Study Thermodynamic Properties of 2-Amino-2-methyl-1-propanol as an Efficient Absorbent for CO2 [Volume 5, Issue 2, 2017, Pages 317-328]
  • Equation of state Analytic Equation of State for the Square-well Plus Sutherland Fluid from Perturbation Theory [Volume 6, Issue 1, 2018, Pages 225-238]
  • Equation of state Solubility Parameter of Fluids from Molecular Thermodynamic Model [Volume 6, Issue 2, 2018, Pages 295-307]
  • Equation of state Application of Carnahan-Starling-vdW-β Equation of State for Refrigerant Fluids [Volume 6, Issue 2, 2018, Pages 447-462]
  • Equation of state A Molecular-Based Equation of State for Vapour-liquid Equilibrium of Pure Substances [Volume 7, Issue 1, 2019, Pages 95-109]
  • Equation of state An Improved ISM Equation of State for Polar Fluids [Volume 7, Issue 3, 2019, Pages 467-474]
  • Equation of state Estimation of Solubility of BTEX, Light Hydrocarbons and Sour Gases in Triethylene Glycol Using the SAFT Equation of State [Volume 8, Issue 2, 2020, Pages 251-266]
  • Equation of state Prediction of DES’ Vapor Pressure Using a New Corresponding State Model [Volume 8, Issue 3, 2020, Pages 471-496]
  • Equation of state Predicting the Surface Tension of Refrigerants from Density Gradient Theory and Perturbed Hard-sphere Equation of State [Volume 9, Issue 4, 2021, Pages 661-671]
  • Equation of state On the Effect of the Hard-sphere Term on the Statistical Associating Fluid Theory Equation of State [Volume 10, Issue 1, 2022, Pages 45-56]
  • Equation of state Volumetric Properties of Nanofluids by a Perturbed Hard-sphere Chain Equation of State [Volume 11, Issue 4, 2023, Pages 735-745]
  • Equilibrium Adsorption Properties of Folic Acid onto Functionalized Carbon Nanotubes: Isotherms and Thermodynamics Studies [Volume 5, Issue 3, 2017, Pages 519-529]
  • Erosional velocity Beyond the Limitations of API RP-14E Erosional Velocity -A Field Study for Gas Condensate Wells [Volume 6, Issue 1, 2018, Pages 193-207]
  • Erosion/corrosion Beyond the Limitations of API RP-14E Erosional Velocity -A Field Study for Gas Condensate Wells [Volume 6, Issue 1, 2018, Pages 193-207]
  • ER probe Beyond the Limitations of API RP-14E Erosional Velocity -A Field Study for Gas Condensate Wells [Volume 6, Issue 1, 2018, Pages 193-207]
  • Esterification Performance and Emissions Investigation of Biodiesel Made from Neem Oil [Volume 12, Issue 1, 2024, Pages 11-19]
  • Estimation An Accurate Empirical Correlation to Estimate Sonic speed of Ionic Liquids [Volume 3, Issue 2, 2015, Pages 169-178]
  • Ethanol Molecular Interactions of MeOH and EtOH with Black Phosphorus Monolayer: A Periodic Density Functional Study [Volume 7, Issue 2, 2019, Pages 435-447]
  • Ethanol A Comparative Study on Water and Ethanol Separation Mixture by Different Solvents: New Experimental and Correlation Data [Volume 9, Issue 4, 2021, Pages 689-700]
  • Ethanol Effects of Ethanol Fumigation on the Performance and Emissions of Diesel Engines [Volume 12, Issue 1, 2024, Pages 135-144]
  • Ethanol concentration Two-level Full Factorial Design for Selectivity Modeling and Studying Simultaneous Effects of Temperature and Ethanol Concentration in Methanol Dehydration Reaction [Volume 5, Issue 1, 2017, Pages 41-56]
  • Ether Measurement of Volumetric and Viscometric Properties of Binary Mixtures of Methyl Tert-butyl Ether (MTBE) + 1-Alcohol from 293.15 to 308.15 K and at Atmospheric Pressure [Volume 4, Issue 4, 2016, Pages 673-691]
  • Ethylene Catalytic Decomposition of Methane and Ethylene into the Carbon and Hydrogen [Volume 3, Issue 1, 2015, Pages 46-57]
  • Ethylene Influence of Surface Heterogeneities on Complexation of Ethylene with Active Sites of NiMCM-41 Nanocatalyst: A Density Functional Theory Study [Volume 7, Issue 2, 2019, Pages 235-243]
  • Ethylene carbonate Conductometric and Refractometric Studies of 1-Propyl-3-methylimidazolium Bromide Ionic Liquid in Water + Ethylene Carbonate Mixtures at T = (298.2, 308.2 and 318.2) K [Volume 8, Issue 3, 2020, Pages 429-455]
  • Ethylene glycol PVP-Assisted Synthesis of Cobalt Ferrite (CoFe2O4) Nanorods [Volume 4, Issue 4, 2016, Pages 655-662]
  • Ethylene glycol Thermophysical Study of Ethylene Glycol + H2O and Ethylene Glycol + (DMF/H2O) at 298.15 K [Volume 11, Issue 4, 2023, Pages 889-896]
  • Ethylene-glycol Thermal Conductivity of Reduced Graphene Oxide by Pulse Laser in Ethylene Glycol [Volume 4, Issue 3, 2016, Pages 407-415]
  • Ethyl ester An Efficient Utilization of Waste Date Pit Oil for Ethyl Ester Production [Volume 7, Issue 3, 2019, Pages 491-498]
  • Ethynyl radical Theoretical Study on the Kinetics of the Reaction of C2H with C2H2 [Volume 6, Issue 1, 2018, Pages 143-157]
  • Etofylline Spectroscopic, Docking and Molecular Dynamics Simulation Studies on the Interaction of Etofylline and Human Serum Albumin [Volume 7, Issue 3, 2019, Pages 681-699]
  • Eugenol Discovery of Eugenol-derived Drug Candidates for the Treatment of COVID-19 by Applying Molecular Docking, Molecular Dynamics, and Pharmacokinetic Analysis [Volume 12, Issue 2, 2024, Pages 289-303]
  • Eutectic point Measurements and Prediction of Melting Temperature and Eutectic Point of Binary Fatty Acids Based on Wilson Activity Model [Volume 7, Issue 2, 2019, Pages 403-414]
  • Eutectic point Evaluation of the Thermal Properties of Ternary Mixtures of Fatty Acids for Green Thermal Energy Storage Application [Volume 10, Issue 4, 2022, Pages 461-471]
  • Excess functions Study of Molecular Interactions of Fossil Fuels through Acoustic and Volumetric Data [Volume 11, Issue 1, 2023, Pages 129-137]
  • Excess Gibbs Energy Study of Phase Equilibria for the n-Butane + Methanol System from 323.22 K to 423.09 K [Volume 11, Issue 1, 2023, Pages 103-116]
  • Excess properties Density, Viscosity, Refractive Index and Excess Properties of Binary and Ternary Solutions of Poly (Ethylene Glycol), Sulfate Salts and Water at 298.15 K [Volume 7, Issue 4, 2019, Pages 859-884]
  • Excipients An Inhibitory Kinetic Method for the Methionine Determination [Volume 10, Issue 2, 2022, Pages 283-292]
  • Excitation Enhanced Luminescence and Energy Transfer of Bi3+/Dy3+ Co-doped La2Zr2O7 Nanophosphors for pc-LED Applications [Volume 11, Issue 1, 2023, Pages 23-31]
  • Excluded area The Modification of the BET Surface Area by Considering the Excluded Area of Adsorbed Molecules [Volume 10, Issue 2, 2022, Pages 173-177]
  • Excluded volume The Modification of the BET Surface Area by Considering the Excluded Area of Adsorbed Molecules [Volume 10, Issue 2, 2022, Pages 173-177]
  • Exhausted activated carbon Steam Regeneration of Exhausted Activated Carbon Used in Natural Gas Dehydration by a Triethylene Glycol Unit [Volume 12, Issue 1, 2024, Pages 109-119]
  • Exothermic Extraction, Characterization and Methyl Orange Sequestration Capacity of Cellulose Nanocrystals Derived from Sugarcane Bagasse: Experimental and Regression Modelling [Volume 9, Issue 3, 2021, Pages 447-465]
  • Experimental Design Nano Particle CORONA Formation; Rather than Proteins [Volume 7, Issue 4, 2019, Pages 849-857]
  • Experimental Design Photocatalytic Degradation of Ethylbenzene in Aqueous Solutions by ZnFe2O4 Nanoparticles Supported on the Copper Slag: Optimization, Kinetics and Thermodynamics Studies [Volume 9, Issue 3, 2021, Pages 539-552]
  • Experimental viscosity Estimation of Viscosities and Their Deviations in Organic Liquid Mixtures at 303.15 K-A Comparative Study [Volume 8, Issue 2, 2020, Pages 365-372]
  • Explosive Calculation of Thermodynamic Parameters of [2.4.6] Three Nitro Toluene (TNT) with Nanostructures of Fullerene and Boron Nitride Nano-cages over Different Temperatures, Using Density Functional Theory [Volume 5, Issue 4, 2017, Pages 617-627]
  • Extraction A New Thermodynamic Approach for Protein Partitioning in Reverse Micellar Solution [Volume 6, Issue 1, 2018, Pages 105-113]
  • Extraction An Efficient Utilization of Waste Date Pit Oil for Ethyl Ester Production [Volume 7, Issue 3, 2019, Pages 491-498]
  • Extraction Liquid Membrane-based Extraction of Arsenic: Part 2-Optimization through Statistical and Machine Learning Approach [Volume 12, Issue 2, 2024, Pages 525-547]
  • Extrapolation A Neuro-Fuzzy Algorithm for Modeling of Fischer-Tropsch Synthesis over a Bimetallic Co/Ni/Al2O3 Catalyst [Volume 3, Issue 1, 2015, Pages 78-88]
  • Extreme learning machine An Exploration of the Antiproliferative Potential of Chalcones and Dihydropyrazole Derivatives in Prostate Cancer via Androgen Receptor: Combined QSAR, Machine Learning, and Molecular Docking Techniques [Volume 10, Issue 2, 2022, Pages 211-223]
  • Eyring-type equation Viscosity-Temperature Stability, Chemical Characterization, and Fatty Acid Profiles of some Brands of Refined Vegetable Oil [Volume 8, Issue 3, 2020, Pages 417-427]

F

  • Falcipain-2 DFT Studies and Topological Analyses of Electron Density on Acetophenone and Propiophenone Thiosemicarbazone Derivatives as Covalent Inhibitors of Falcipain-2, a Major Plasmodium Falciparum Cysteine Protease [Volume 5, Issue 4, 2017, Pages 795-817]
  • FAME Performance and Emissions Investigation of Biodiesel Made from Neem Oil [Volume 12, Issue 1, 2024, Pages 11-19]
  • Fatty Acid Measurements and Prediction of Melting Temperature and Eutectic Point of Binary Fatty Acids Based on Wilson Activity Model [Volume 7, Issue 2, 2019, Pages 403-414]
  • FCC surfaces A DFT Study of Hydrogen Adsorption on Metallic Platinum: Associative or Dissociative Adsorption [Volume 11, Issue 3, 2023, Pages 527-536]
  • Fe) Understanding Hydrogen Adsorption in MIL-47-M (M = V and Fe) through Density Functional Theory [Volume 4, Issue 4, 2016, Pages 607-617]
  • Fe3O4 nanoparticles Effect of PVA/PEG-coated Fe3O4 Nanoparticles on the Structure, Morphology and Magnetic Properties [Volume 10, Issue 4, 2022, Pages 537-547]
  • Fe3O4/ZnO/AgI/Ag2CO3 Fabrication of Magnetically Recoverable Nanocomposites by Combination of Fe3O4/ZnO with AgI and Ag2CO3: Substantially Enhanced Photocatalytic Activity under Visible Light [Volume 6, Issue 2, 2018, Pages 415-431]
  • Fe-Ce catalyst Kinetic Study of Fischer Tropsch Synthesis over co Precipitated Iron-Cerium Catalyst [Volume 1, Issue 1, 2013, Pages 69-80]
  • Fe-Co-Ce catalyst Optimizing the Preparation Conditions of Silica Supported Fe-Co-Ce Ternary Catalyst for the Fixed-bed Fischer-Tropsch Synthesis: Taguchi Experimental Design Approach [Volume 6, Issue 2, 2018, Pages 387-397]
  • Fe content Fe Lauded TiO2 Nanoparticles Synthesized by Sol-gel Precursors [Volume 7, Issue 2, 2019, Pages 395-401]
  • Fe dopant Fe-Loaded CeO2 Nanosized Prepared by Simple Co-Precipitation Route [Volume 6, Issue 4, 2018, Pages 713-720]
  • Fe-doped nanotube DFT Study of N-hydroxyurea Adsorption Behavior onto Pristine and Iron-doped Single-walled Carbon Nanotube [Volume 6, Issue 1, 2018, Pages 115-132]
  • Fe-K/Al2O3 catalyst Determination of the Deactivation Model of Iron-potassium/γ-Al2O3 Catalyst in a Fixed Bed Reactor [Volume 6, Issue 2, 2018, Pages 365-375]
  • FeMo/γ-Al2O3 Extruded catalyst The Preparation of FeMo/γ-Al2O3 Extruded Catalyst and Optimization of the Operating Conditions of the ODS of Light Oil Naphtha [Volume 11, Issue 2, 2023, Pages 191-202]
  • Fenton Efficient Rapid Deodorization of Mercaptan-Contaminated Soil by Sono-Fenton Process: Response Surface Modeling and Optimization [Volume 7, Issue 1, 2019, Pages 53-64]
  • Fermi energy Theoretical Calculations of the Effect of Finite Length on the Structural Properties of Pristine and Nitrogen-doped Carbon Nanotubes [Volume 4, Issue 3, 2016, Pages 451-467]
  • Ferromagnetic Fe/Ni nanoparticles Removal of Methyl Orange from Aqueous Solutions by Ferromagnetic Fe/Ni Nanoparticles [Volume 6, Issue 2, 2018, Pages 433-446]
  • FE-SEM Synthesis of TiO2 Nanoparticles by Hydrothermal Method and Characterization of their Antibacterial Activity: Investigation of the Impact of Magnetism on the Photocatalytic Properties of the Nanoparticles [Volume 11, Issue 4, 2023, Pages 771-782]
  • FESEM Fe Lauded TiO2 Nanoparticles Synthesized by Sol-gel Precursors [Volume 7, Issue 2, 2019, Pages 395-401]
  • Fiber Investigating the Influence of Alkali over Morphology, Functional Groups, and Physical and Mechanical Properties of Fiber obtained from Cordia Dichotoma (Gum Berry) [Volume 12, Issue 2, 2024, Pages 349-359]
  • Fick diffusion coefficient Fick and Maxwell-Stefan Diffusion Coefficients in the Ternary Liquid Mixture of Acetone-Methanol-Chloroform [Volume 9, Issue 4, 2021, Pages 651-659]
  • Film Mechano-Optical Study of the Deformation of Polymer Films [Volume 12, Issue 2, 2024, Pages 393-406]
  • First hyperpolarizability First-order Nonlinear Optical Response of C2Bn-2H n-1X (n = 14-17; X = H, Li, Na, K, F, Cl, Br) Carboranes: Insights from DFT and TD-DFT Calculations [Volume 8, Issue 3, 2020, Pages 529-542]
  • Fischer-Tropsch (FT) reaction Prediction of Fe-Co-Mn/MgO Catalytic Activity in Fischer-Tropsch Synthesis Using Nu-support Vector Regression [Volume 4, Issue 3, 2016, Pages 391-405]
  • Fischer-Tropsch reaction, Cu-Fe alloy surface, CO dissociation The Effect of Cu Impurity on the CO-dissociation Mechanism on the Fe (100) Surface: A Full Potential DFT Study [Volume 5, Issue 4, 2017, Pages 831-839]
  • Fischer Tropsch synthesis Determination of the Product Selectivity Model from the Fischer Tropsch Synthesis in a Fixed Bed Reactor [Volume 7, Issue 3, 2019, Pages 499-510]
  • Fischer-Tropsch synthesis Kinetic Study of Fischer Tropsch Synthesis over co Precipitated Iron-Cerium Catalyst [Volume 1, Issue 1, 2013, Pages 69-80]
  • Fischer-Tropsch synthesis A review of Fischer-Tropsch synthesis on the cobalt based catalysts [Volume 2, Issue 2, 2014, Pages 179-201]
  • Fischer-Tropsch synthesis The Application of Hybrid RSM/ANN Methodology of an Iron-based Catalyst Performance in Fischer-Tropsch Synthesis [Volume 5, Issue 3, 2017, Pages 585-600]
  • Fischer-Tropsch synthesis Determination of the Deactivation Model of Iron-potassium/γ-Al2O3 Catalyst in a Fixed Bed Reactor [Volume 6, Issue 2, 2018, Pages 365-375]
  • Fischer-Tropsch synthesis Optimizing the Preparation Conditions of Silica Supported Fe-Co-Ce Ternary Catalyst for the Fixed-bed Fischer-Tropsch Synthesis: Taguchi Experimental Design Approach [Volume 6, Issue 2, 2018, Pages 387-397]
  • Fischer-Tropsch synthesis KCl Promoted Cobalt-iron Nanocatalysts Supported on Silica: Catalytic Performance and Characterization in Fischer-Tropsch Synthesis [Volume 6, Issue 2, 2018, Pages 399-414]
  • Fischer-Tropsch synthesis Preparation of Iron-cobalt-cerium Heterogeneous Nano-catalysts to Produce Light Hydrocarbons from Synthesis Gas [Volume 6, Issue 4, 2018, Pages 785-794]
  • Fischer-Tropsch synthesis Effects of Functionalization of Carbon Nanotubes on Activity and Selectivity of Co/CNT Catalysts in Fischer-Tropsch Synthesis [Volume 6, Issue 4, 2018, Pages 795-804]
  • Fixed bed reactor Determination of the Deactivation Model of Iron-potassium/γ-Al2O3 Catalyst in a Fixed Bed Reactor [Volume 6, Issue 2, 2018, Pages 365-375]
  • Fixed bed reactor Determination of the Product Selectivity Model from the Fischer Tropsch Synthesis in a Fixed Bed Reactor [Volume 7, Issue 3, 2019, Pages 499-510]
  • Fixed-bed Reactor Catalytic Behavior of Co/Al2O3 Nanocatalyst under External Magnetic Field [Volume 8, Issue 4, 2020, Pages 645-656]
  • Flame synthesis A Reactive Molecular Dynamics Simulation of the Flame Synthesis of Silica Nanoparticles [Volume 8, Issue 4, 2020, Pages 629-644]
  • Flavonoids 817M40T Mild Steel Corrosion Remediation in 0.5 M Hydrochloric Acidic Environment Using Alkaloid and Flavonoid Extracts of Salvia Officinalis [Volume 12, Issue 1, 2024, Pages 121-133]
  • Flocculant Flocculation of Clay Suspensions Using Copolymers Based on Acrylamide and Biopolymer [Volume 11, Issue 2, 2023, Pages 221-230]
  • Flow regime Effect of Surfactants on Pressure Drop in Vertical Water-Air and Gas Condensate-Air Two-Phase Vertical Flow [Volume 6, Issue 4, 2018, Pages 815-824]
  • Fluorescence Heme Releasing from Human Hemoglobin upon Interaction with a New Synthesized Complex of 1,10-Phenanthroline-n-butyl Dithiocarbamato Pd(II) Nitrate [Volume 1, Issue 2, 2013, Pages 185-196]
  • Fluorescence A Study on the Aggregation and Calf Thymus DNA Binding Characteristics of Anionic Cobalt(II) Tetrasulfonated Phthalocyanine [Volume 4, Issue 1, 2016, Pages 83-94]
  • Fluorescence Computational Study of the Precursor Spectroelectrochemistry of Guanine [Volume 8, Issue 4, 2020, Pages 719-735]
  • Fluorescence quenching Spectroscopic Studies on the Interaction of Co(II) Tetrapyridinoporphyrazine with Synthetic Polynucleotides and DNA [Volume 4, Issue 2, 2016, Pages 161-172]
  • Fluorescence quenching Spectroscopic, Thermodynamic and Molecular Docking Studies on Interaction of Toxic Azo Dye with Bovine Serum Albumin [Volume 5, Issue 3, 2017, Pages 541-554]
  • Fluorescence quenching Synthesis, Characterization and Spectroscopic Studies on the Interaction Between 𝞫-Casein and Co)II( Schiff Base Complex [Volume 9, Issue 1, 2021, Pages 123-135]
  • Fluorescence quenching The Influence of 6-Shogaol, a Therapeutic Agent of Zingiber Officinale, on the Interaction of Ciprofloxacin with Bovine Serum Albumin [Volume 9, Issue 3, 2021, Pages 525-538]
  • Fluorescence spectroscopy Exploring the Interaction Mechanism of Coumarin with Bovine β-Casein: Spectrofluorometric and Molecular Modeling Studies [Volume 6, Issue 3, 2018, Pages 627-638]
  • Fluorescence spectroscopy Probing the Binding of Valacyclovir Hydrochloride to the Human Serum Albumin [Volume 7, Issue 4, 2019, Pages 751-764]
  • Fluorescence spectroscopy Insights into Platinum Complex-HSA Bindings: Spectral and Molecular Dynamics Simulation Studies [Volume 9, Issue 3, 2021, Pages 427-446]
  • Fluorescence spectroscopy Study on the Molecular Interaction of Anthocyanin-rich Eggplant Extracts with Bovine α-Lactalbumin [Volume 10, Issue 4, 2022, Pages 485-494]
  • Fluoride Sensing Activity of a New Generation of Thiourea-based Receptors; A Theoretical Study on the Anion Sensing [Volume 4, Issue 3, 2016, Pages 427-440]
  • Fluorine TECEB Materials Based on Carbazole for Organic Solar Cells Applications. Theoretical Investigations [Volume 2, Issue 2, 2014, Pages 244-251]
  • FMO First-Principles Study on Optoelectronic and Photovoltaic Properties in a P3HT/PCBM Complex [Volume 11, Issue 2, 2023, Pages 299-313]
  • Food packaging Nano-based Biodegradable Food Packaging of Vitis-Vinifera Synthesized by PVA/ZnO Nanocomposites [Volume 11, Issue 2, 2023, Pages 449-458]
  • Force field Molecular Dynamics Simulation of Crocin and Dimethylcrocetin Interactions with DNA [Volume 6, Issue 4, 2018, Pages 825-838]
  • Force-field parameters Molecular Dynamics Simulation of Phosphorus Trichloride (PCl3) and Phosphorus Triiodide (PI3) Liquids by Using the Force-fields Derived from a Quantum Chemical Approach [Volume 9, Issue 3, 2021, Pages 509-523]
  • Formaldehyde Theoretical Investigation of the Reaction Mechanism for a Type of N-heterocyclic Compound Involving Mono-N-aryl-3-aminodihydropyrrol [Volume 5, Issue 4, 2017, Pages 755-769]
  • Formaldehyde Removal of Formaldehyde from Aqueous Solution Using Low-cost and Reusable Adsorbents [Volume 11, Issue 4, 2023, Pages 853-864]
  • Formic acid Separation of Formic Acid from Aqueous Solutions by Liquid Extraction Technique at Different Temperatures [Volume 7, Issue 1, 2019, Pages 201-215]
  • Formyl radical Products of the Self-Reaction of HCO Radicals: Theoretical Kinetics Studies [Volume 7, Issue 1, 2019, Pages 81-94]
  • Free energy Physicochemical Properties and Structural Analysis of Some Organic Solvent (OS)-Water Systems: A Quantum Mechanical Study [Volume 10, Issue 4, 2022, Pages 559-570]
  • Free volume A Study of Some Excess Thermodynamic Properties in Binary Mixtures of Non-Aqueous Solvents at Variable Temperatures [Volume 10, Issue 3, 2022, Pages 439-453]
  • Freundlich Removal of Methylene Blue Dye from an Aqueous Solution by an Adsorption Technique Using Sulfonated Polystyrene as Three Low-cost Adsorbents [Volume 12, Issue 2, 2024, Pages 453-465]
  • Friction Theory Correlations and Predictions of THF + 2-Alkanol Binary Mixtures Behaviour by PC-SAFT Model and Friction Theory [Volume 6, Issue 3, 2018, Pages 599-612]
  • Frontier molecular orbitals Substituent Effects on the Structural and Nonlinear Optical Properties of 1-[4-({(E)-[4-(methylsulfanyl)phenyl]methylidene}amino)phenyl]ethanone and Some of its Substituted Derivatives- a Theoretical Method [Volume 6, Issue 3, 2018, Pages 667-683]
  • Fructose Kinetic Aspects of Tetrahydrobenzo[b]pyran Formation in the Presence of Fructose as a Green Catalyst: a Mechanistic Investigation [Volume 4, Issue 3, 2016, Pages 379-390]
  • Fruit quality Nano-based Biodegradable Food Packaging of Vitis-Vinifera Synthesized by PVA/ZnO Nanocomposites [Volume 11, Issue 2, 2023, Pages 449-458]
  • FT-IR Non-Isothermal Degradation Kinetics of High Energy Protons Irradiated Polyvinyl Butyral [Volume 3, Issue 3, 2015, Pages 217-228]
  • FT-IR Experimental and Computational Investigations on the Molecular Structure, Vibrational Spectra, Electronic Properties, FMO and MEP Analyses of 4,6-Bis(4-Fluorophenyl)-5,6-dihydropyrimidin-2(1H)-one: A DFT Insight [Volume 8, Issue 4, 2020, Pages 671-687]
  • FT-IR Structural, Spectroscopic (UV-Vis and IR), Electronic and Chemical Reactivity Studies of (3,5-Diphenyl-4,5-dihydro-1H-pyrazol-1-yl)(phenyl)methanone [Volume 9, Issue 2, 2021, Pages 193-209]
  • FT-IR Structural, Morphological, and Optical Studies of ZnS-MoS2 Nanocomposite via Hydrothermal Route [Volume 10, Issue 2, 2022, Pages 293-300]
  • FT-IR Experimental and Theoretical Spectroscopic Studies of the Electronic Structure of 2-Ethyl-2-phenylmalonamide [Volume 10, Issue 3, 2022, Pages 333-344]
  • FTIR Removal of Manganese(II) from Aqueous Solution by Chemically Activated Thuja Occidentalis Leaves Carbon (CATLC) as an Adsorbent: Adsorption Equilibrium and Kinetic Studies [Volume 7, Issue 1, 2019, Pages 11-26]
  • FTIR Spectroscopic and FMO Studies of Cholesteryl Stereate Complexes for Electrooptical Activity [Volume 7, Issue 1, 2019, Pages 27-36]
  • FTIR Removal of Calcium (Ca2+) Ion from Aqueous Solution by Chemically Activated Thuja Occidentalis Leaves Carbon (CATLC)-Application for Softening the Groundwater Samples [Volume 7, Issue 3, 2019, Pages 449-466]
  • FTIR Bio-sorption of As(V) from Aqueous Solutions by Thuja Occidentalis Leaves Activated Carbon@Al Embedded Material [Volume 11, Issue 2, 2023, Pages 287-297]
  • FT-IR spectroscopy XRD, EPR and FT-IR Studies of Zinc Aluminium Lithium Borate (ZALB) Glases Doped with Cu2+ Ions [Volume 10, Issue 4, 2022, Pages 455-460]
  • FTIR spectroscopy Methods of Recycling Expanded Polystyrene Waste: Synthesis and Characterization [Volume 11, Issue 4, 2023, Pages 943-951]
  • FT-Raman Experimental and Theoretical Spectroscopic Studies of the Electronic Structure of 2-Ethyl-2-phenylmalonamide [Volume 10, Issue 3, 2022, Pages 333-344]
  • Fuel oxygenates Optimization and Modeling of Complete Removal of N-Compounds from Oil Cut Using Response Surface Methodology (RSM) by CuAlO2/ZSM-12&35 as a New Photocatalyst [Volume 8, Issue 4, 2020, Pages 585-608]
  • Fuel-rich Thermal Degradation Kinetic Study of a Fuel-rich Energetic Mixture Containing Epoxy Binder [Volume 4, Issue 3, 2016, Pages 369-378]
  • Fugacity coefficient VLE Properties from ISM Equation of State: Application to Pure and Mixture [Volume 3, Issue 1, 2015, Pages 16-23]
  • Full-potential density functional theory DFT Study on Oxygen-Vacancy Stability in Rutile/Anatase TiO2: Effect of Cationic Substitutions [Volume 6, Issue 3, 2018, Pages 547-563]
  • Fumigation Effects of Ethanol Fumigation on the Performance and Emissions of Diesel Engines [Volume 12, Issue 1, 2024, Pages 135-144]
  • Functionalization Functionalization of the Single-walled Carbon Nanotubes by Sulfur Dioxide and Electric Field Effect, a Theoretical Study on the Mechanism [Volume 4, Issue 4, 2016, Pages 553-565]
  • Functionalization Effects of Functionalization of Carbon Nanotubes on Activity and Selectivity of Co/CNT Catalysts in Fischer-Tropsch Synthesis [Volume 6, Issue 4, 2018, Pages 795-804]
  • Functionalized C60 fullerenes A DFT Study on Adsorption of Alanine on Pristine, Functionalized and Boron and/or Nitrogen Doped Functionalized C60 Fullerenes [Volume 8, Issue 4, 2020, Pages 657-669]
  • Functionalized membrane Functionalized Single-atom Thickness Boron Nitride Membrane for Separation of Arsenite Ion from Water: A Molecular Dynamics Simulation Study [Volume 8, Issue 3, 2020, Pages 543-556]
  • Functionalized single-walled carbon nanotube Studies on the Interaction between Derivatives of 9-Aacridinyl Amino Acid as Anticancer Drugs and Functionalized Carbon Nanotubes: ONIOM2-PCM Approach [Volume 9, Issue 1, 2021, Pages 99-106]
  • Fuoss Onsager equation Conductometric and Refractometric Studies of 1-Propyl-3-methylimidazolium Bromide Ionic Liquid in Water + Ethylene Carbonate Mixtures at T = (298.2, 308.2 and 318.2) K [Volume 8, Issue 3, 2020, Pages 429-455]
  • Furan Theoretical Study on Structure and Electronic Properties of Aniline-5-Membered Heterocyclic Co-oligomers [Volume 6, Issue 3, 2018, Pages 463-478]

G

  • Ga- The Interaction of HCN Gas on the Surface of Pristine, Ga, N and GaN-Doped (4,4) Armchair Models of BPNTs: A Computational Approach [Volume 3, Issue 4, 2015, Pages 265-277]
  • GaAs-doped Gallium and Arsenic doped on (4, 4) armchair and (8, 0) zigzag models of Boron phosphide nanotubes: NMR study [Volume 1, Issue 1, 2013, Pages 90-98]
  • Gallium Interactions of Deferasirox as a Chelating Agent with Al and Ga Cations: A Theoretical Study on the [M(DFX)2]3- Nanostructures [Volume 6, Issue 1, 2018, Pages 67-82]
  • Gambrill relation Estimation of Viscosities and Their Deviations in Organic Liquid Mixtures at 303.15 K-A Comparative Study [Volume 8, Issue 2, 2020, Pages 365-372]
  • GA-MLR Quantitative Modeling for Prediction of Critical Temperature of Refrigerant Compounds [Volume 4, Issue 1, 2016, Pages 61-71]
  • GA-MLR Theoretical and Experimental Investigations for Identification of Anaphylactic Lymphoma Kinase inhibitors [Volume 12, Issue 3, 2024, Pages 591-620]
  • Gas Hydrate A Fugacity Approach for Prediction of Phase Equilibria of Methane Clathrate Hydrate in Structure H [Volume 5, Issue 3, 2017, Pages 465-481]
  • Gaussian Antimalarial Activity of some Conjugated Arylhydrazones: Ab Initio Calculation of Nuclear Quadrupole Coupling Constants (NQCC) [Volume 5, Issue 4, 2017, Pages 681-689]
  • Gaussian Experimental and Computational Investigations on the Molecular Structure, Vibrational Spectra, Electronic Properties, FMO and MEP Analyses of 4,6-Bis(4-Fluorophenyl)-5,6-dihydropyrimidin-2(1H)-one: A DFT Insight [Volume 8, Issue 4, 2020, Pages 671-687]
  • Gay-Berne Solvation Force of Ellipse-Shaped Molecules Moving in One Dimension and Confined between Two Parallel Planar Walls [Volume 3, Issue 1, 2015, Pages 58-66]
  • GC Quantum Mechanical Study of some Intercalating and Groove Binding Anticancer Drugs with AT and GC Base Pair of DNA Nucleobase [Volume 9, Issue 4, 2021, Pages 673-688]
  • GC DFT Study on the Carcinogenicity of some Common Polycyclic Aromatic Hydrocarbons (PAH) [Volume 11, Issue 3, 2023, Pages 537-548]
  • GCK In Silico Analysis Predicting the Structural and Functional Effects of High-risk nsSNPs in the Human GCK Gene Associated with Gestational Diabetes [Volume 11, Issue 3, 2023, Pages 653-673]
  • GCMS An In Vivo Synergistic Research on the Assessment of the Phytocompound Capped Silver Nanoparticles from Raphanus sativus Leaf Extract and Curcuma longa Against UTI-Causing E.coli. [Volume 10, Issue 4, 2022, Pages 581-588]
  • Gelatin Graphene Oxide/Activated Clay/Gelatin Composites: Synthesis, Characterization and Properties [Volume 10, Issue 1, 2022, Pages 143-150]
  • General equation An accurate General Method to Correlate Saturated Vapor Pressure of Pure Substances [Volume 3, Issue 1, 2015, Pages 35-45]
  • Genetic Algorithm A Comparative Study on Water and Ethanol Separation Mixture by Different Solvents: New Experimental and Correlation Data [Volume 9, Issue 4, 2021, Pages 689-700]
  • Genetic function algorithm A Novel QSAR Model for the Evaluation and Prediction of (E)-N’-Benzylideneisonicotinohydrazide Derivatives as the Potent Anti-mycobacterium Tuberculosis Antibodies Using Genetic Function Approach [Volume 6, Issue 3, 2018, Pages 479-492]
  • Genetic susceptibility In Silico Analysis Predicting the Structural and Functional Effects of High-risk nsSNPs in the Human GCK Gene Associated with Gestational Diabetes [Volume 11, Issue 3, 2023, Pages 653-673]
  • Geniposidic acid COMPUTATIONAL INVESTIGATION OF GENIPOSIDIC ACID AS AN ANTICANCER AGENT USING MOLECULAR DOCKING, MOLECULAR DYNAMIC SIMULATION, DFT CALCULATION, AND OSIRIS-MOLINSPIRATION PROFILING [Volume 11, Issue 4, 2023, Pages 801-823]
  • Geometries and entropy Thermodynamics and Kinetics of Spiro-Heterocycle Formation Mechanism: Computational Study [Volume 5, Issue 3, 2017, Pages 439-446]
  • Geranyl geranyl pyrophosphate Quality Parameters, Empirical and Kinetic Models of Lycopene and Beta-carotene Bioformation in Tomatoes (Solanum lycopersicum) [Volume 10, Issue 1, 2022, Pages 151-162]
  • Gestational diabetes In Silico Analysis Predicting the Structural and Functional Effects of High-risk nsSNPs in the Human GCK Gene Associated with Gestational Diabetes [Volume 11, Issue 3, 2023, Pages 653-673]
  • Gibbs energy Modeling of liquid–liquid equilibria of aqueous alcohol + salt systems using amodified NRTL [Volume 2, Issue 1, 2014, Pages 96-115]
  • Glass The Effects of Silicon Oxide on the Structure, Physical Chemistry Properties, and Bioactivity of Phosphate Glasses Containing Sodium, Strontium, and Titanium Oxides [Volume 10, Issue 1, 2022, Pages 1-12]
  • Glass Transition Diffusive Dynamicsof Binary Lennard-Jones Liquid in the Presence of Gold Nanoparticle: A Mode Coupling Theory Analysis [Volume 1, Issue 1, 2013, Pages 61-68]
  • Global and local reactivity Why do Bimetallic Clusters have more Chemical Reactivity? Study the VnNim (2 ≤ n + m ≤ 6) Clusters as the Nano Species [Volume 7, Issue 4, 2019, Pages 715-729]
  • Glucose esters Synthesis, Antifungal Activity, and Molecular Docking Studies of Some New Di-O-Isopentanoyl Glucopyranosides [Volume 11, Issue 1, 2023, Pages 149-157]
  • Glycerol Determination and Modeling of Activity Coefficients of Sodium Chloride in (Glycerol + Water) Mixtures Based on Potentiometric Measurements [Volume 3, Issue 4, 2015, Pages 305-318]
  • Glycin receptor Molecular Insight into the Mutual Interactions of Two Transmembrane Domains of Human Glycine Receptor (TM23-GlyR), with the Lipid Bilayers [Volume 8, Issue 3, 2020, Pages 373-397]
  • Glycoside group Theoretical Study on Glycosyl Group Effect on Antioxidant Ability of Chrysin Bioflavonoid [Volume 4, Issue 4, 2016, Pages 643-654]
  • Glyphosate Comparative Study of Glyphosate Adsorption on Armchair CNT(5.5) and BNNT(5.5): A DFT Study [Volume 9, Issue 3, 2021, Pages 373-384]
  • Gold Nanoparticles Selective Oxidation of Alkenes by Dioxygen Using Modified Gold Nanoclusters [Volume 8, Issue 3, 2020, Pages 557-568]
  • GPLE Deactivation of Iron Fischer-Tropsch Catalyst in the Presence of Different Promoters: Model Determination and Parameter Estimation Using a Hybrid ANN/GPLE Technique [Volume 11, Issue 4, 2023, Pages 761-770]
  • G-quadruplex In Silico Study of the Effect of Porphyrin-Based Ligands on the Structure of G-Quadruplex in the Presence of Different Ions [Volume 11, Issue 4, 2023, Pages 695-705]
  • Granular Ferric Hydroxide (GFH) Performance of a Recirculating Fixed Bed Reactor for the Oxidation of Phenol and Trisubstituted Phenols by Heterogeneous Photocatalytic Process-mechanistic, Kinetic and Substituents Approach [Volume 11, Issue 1, 2023, Pages 79-89]
  • Granular Materials Activated Empty Palm Fruit Bunch for the Adsorption of Heavy Metal Ions: Kinetics and Thermodynamics [Volume 10, Issue 4, 2022, Pages 505-518]
  • Graphdiyne Halogenated Graphdiyne and Graphyne Single Layers: A Systematic Study [Volume 4, Issue 2, 2016, Pages 231-243]
  • Graphitic carbon nitride Graphitic Carbon Nitride/Reduced Graphene Oxide/Silver Oxide Nanostructures with Enhanced Photocatalytic Activity in Visible Light [Volume 6, Issue 4, 2018, Pages 729-740]
  • Graphitic carbon nitride Construction of ZnS/montmorillonite/graphitic Carbon Nitride as Adsorbent and Photocatalyst for the Removal of Rhodamine B [Volume 12, Issue 2, 2024, Pages 273-287]
  • Green function’s technique Spin-polarized transport through a zigzag-edge graphene flake embedded between two armchair nanoribbons electrodes [Volume 2, Issue 2, 2014, Pages 146-150]
  • Green inhibitor Mentha spicata L. Extract as a Green Corrosion Inhibitor for Carbon Steel in HCl Solution [Volume 5, Issue 2, 2017, Pages 293-307]
  • Green Nanotechnology Nano-based Biodegradable Food Packaging of Vitis-Vinifera Synthesized by PVA/ZnO Nanocomposites [Volume 11, Issue 2, 2023, Pages 449-458]
  • Green solvents Insights into the Lignin Dissolution Mechanism of Water Content Tailored-choline Chloride (ChCl) Based Green Solvents for Biomass Pretreatment [Volume 11, Issue 3, 2023, Pages 605-614]
  • Groove binding Spectroscopic Studies on the Interaction of Co(II) Tetrapyridinoporphyrazine with Synthetic Polynucleotides and DNA [Volume 4, Issue 2, 2016, Pages 161-172]
  • GSAS Crystal Chemistry of Immobilization of tetravalent Ce and Se in ceramic matrix of sodium zirconium phosphates [Volume 2, Issue 1, 2014, Pages 21-29]
  • Guanine How to Change the Redox Potential of Guanine? [Volume 3, Issue 4, 2015, Pages 341-346]
  • Guanine Computational Study of the Precursor Spectroelectrochemistry of Guanine [Volume 8, Issue 4, 2020, Pages 719-735]
  • Guest-host interactions Effect of Alkyl Tail on the Visible Spectra and Order Parameters S of some Azo N-Ester-1,8-naphthalimide(ANEN) Disperse Dyestuff [Volume 3, Issue 3, 2015, Pages 229-237]
  • Gupta many body model Molecular Dynamics Simulation of the Melting Process in Au15Ag40 Nanoalloys [Volume 5, Issue 2, 2017, Pages 359-366]

H

  • H2O Physicochemical Properties and Structural Analysis of Some Organic Solvent (OS)-Water Systems: A Quantum Mechanical Study [Volume 10, Issue 4, 2022, Pages 559-570]
  • Halide Selective Binding of Cyclic Nanopeptide with Halides and Ion Pairs; a DFT-D3 Study [Volume 5, Issue 3, 2017, Pages 425-437]
  • Halogenated graphdiyne Halogenated Graphdiyne and Graphyne Single Layers: A Systematic Study [Volume 4, Issue 2, 2016, Pages 231-243]
  • Halogen-bonding The Nature of Halogen Bonds in [N∙∙∙X∙∙∙N]+ Complexes: A Theoretical Study [Volume 4, Issue 1, 2016, Pages 1-15]
  • Halogen bonds A theoretical survey on strength and characteristics of F•••F, Br•••O and Br•••Br interactions in solid phase [Volume 1, Issue 2, 2013, Pages 142-151]
  • Halogen bonds Interplay Between Lithium Bonding and Halogen Bonding in F3CX•••YLi•••NCCN and F3CX•••NCCN•••LiY Complexes (X = Cl, Br; Y = CN, NC) [Volume 2, Issue 2, 2014, Pages 171-178]
  • Hammett constants Performance of a Recirculating Fixed Bed Reactor for the Oxidation of Phenol and Trisubstituted Phenols by Heterogeneous Photocatalytic Process-mechanistic, Kinetic and Substituents Approach [Volume 11, Issue 1, 2023, Pages 79-89]
  • Hand Liquid-liquid Equilibrium Data of Aqueous Mixtures of Butyric Acid with 2-Methylcyclohexanol at Different Temperatures and 102.1 kPa [Volume 10, Issue 3, 2022, Pages 411-420]
  • Hard-sphere fluid On the Effect of the Hard-sphere Term on the Statistical Associating Fluid Theory Equation of State [Volume 10, Issue 1, 2022, Pages 45-56]
  • Harmonic oscillator How the Nonextensivity Parameter Affects Energy Fluctuations [Volume 2, Issue 2, 2014, Pages 137-145]
  • Hartree-Fock method Calculation of Quasi-one-dimensional Interacting Electron Gas Using the Hartree-Fock Method [Volume 4, Issue 3, 2016, Pages 441-449]
  • H-bond Molecular Dynamics Simulation of Crocin and Dimethylcrocetin Interactions with DNA [Volume 6, Issue 4, 2018, Pages 825-838]
  • HCN adsorption Interaction of HCN Molecule with the Pristine and Al, S and Al & S Doped Beryllium Oxide Nanotube: A Computational Study [Volume 6, Issue 1, 2018, Pages 31-43]
  • HCN interaction The Interaction of HCN Gas on the Surface of Pristine, Ga, N and GaN-Doped (4,4) Armchair Models of BPNTs: A Computational Approach [Volume 3, Issue 4, 2015, Pages 265-277]
  • HCO Products of the Self-Reaction of HCO Radicals: Theoretical Kinetics Studies [Volume 7, Issue 1, 2019, Pages 81-94]
  • HCT116 p53 Combined 3D-QSAR and Molecular Docking Analysis of Styrylquinoline Derivatives as Potent anti-cancer Agents [Volume 10, Issue 3, 2022, Pages 345-362]
  • HDTMA Adsorption Removal of Humic Acid from Water Using a Modified Algerian Bentonite [Volume 6, Issue 3, 2018, Pages 613-625]
  • He Microsolvation of NO2+ in Helium: An Ab Initio Study on NO2+-Hen Clusters (n ≤ 7) [Volume 4, Issue 1, 2016, Pages 109-117]
  • Heat Capacity Molecular dynamics studies on the denaturation of polyalanine in the presence of guanidinium chloride at low concentration [Volume 1, Issue 2, 2013, Pages 152-165]
  • Heat Capacity A New Simple Model to Calculate the Heat Capacity of Pure Ionic Liquids [Volume 8, Issue 1, 2020, Pages 139-154]
  • Heat capacity of activation Chemical Kinetics for Reaction of 5-Nitro-1H-benzo[d]imidazole to Produce 6-Nitro-1H-benzo[d]imidazole and Calculation of Heat Capacity of Activation [Volume 5, Issue 3, 2017, Pages 409-424]
  • Heat of vaporization An Improved ISM Equation of State for Polar Fluids [Volume 7, Issue 3, 2019, Pages 467-474]
  • Heat source The Effect of Nonlinear Thermal Radiation on EMHD Casson Nanofluid over a Stretchable Riga Plate with Temperature-Dependent Viscosity and Chemical Reaction [Volume 12, Issue 1, 2024, Pages 157-173]
  • Heat transfer enhancement Nanofluids for Heat Transfer Enhancement – A Review [Volume 1, Issue 1, 2013, Pages 1-33]
  • Heavy metal Application of Agricultural Wastes as a Low-cost Adsorbent for Removal of Heavy Metals and Dyes from Wastewater: A Review Study [Volume 9, Issue 2, 2021, Pages 211-226]
  • Helix How Do Palladium Complexes Affect on Coil Structure of Human Serum Albumin in the Presence of Carbon Nanotube? A Molecular Dynamics Study [Volume 4, Issue 1, 2016, Pages 47-60]
  • Hematite Synthesis and Characterization of α-Fe2O3 Nanoparticles by Simple Co-Precipitation Method [Volume 3, Issue 3, 2015, Pages 191-196]
  • Hematite nanoparticles Photocatalytic Degradation of Rhodamine B and Methylene blue Using α-Fe2O3 Nanoparticles [Volume 11, Issue 1, 2023, Pages 139-147]
  • Heme degradation Heme Releasing from Human Hemoglobin upon Interaction with a New Synthesized Complex of 1,10-Phenanthroline-n-butyl Dithiocarbamato Pd(II) Nitrate [Volume 1, Issue 2, 2013, Pages 185-196]
  • Hemoglobin Heme Releasing from Human Hemoglobin upon Interaction with a New Synthesized Complex of 1,10-Phenanthroline-n-butyl Dithiocarbamato Pd(II) Nitrate [Volume 1, Issue 2, 2013, Pages 185-196]
  • Hen egg-white HEWL Study the Interaction of Ni Complex of Tetradentate Schiff Base Ligand with HEN Egg White Lysozyme [Volume 5, Issue 1, 2017, Pages 113-123]
  • HER2 Molecular Docking Based on Virtual Screening, Molecular Dynamics and Atoms in Molecules Studies to Identify the Potential Human Epidermal Receptor 2 Intracellular Domain Inhibitors [Volume 6, Issue 1, 2018, Pages 83-103]
  • HER2 drug design Molecular Docking-based Virtual Screening, Molecular Dynamics and Atoms in Molecules (AIM) Studies to Identify Potential Inhibitor against the Extracellular Region of Human Epidermal Receptor 2 [Volume 8, Issue 1, 2020, Pages 61-90]
  • Heterogeneous Non-cross-linked Amphiphilic Copolymer Coated Palladium Nanoparticles: A Highly Efficient and Reusable Catalyst for Aerobic Oxidation of Alcohols [Volume 7, Issue 4, 2019, Pages 823-835]
  • Heterogeneous catalysis Mechanism Discrimination for Bimolecular Reactions: Revisited with a Practical Hydrogenation Case Study [Volume 5, Issue 4, 2017, Pages 727-736]
  • Heterogeneous catalyst Evaluation of Methyl Ester Production Using Cement as a Heterogeneous Catalyst [Volume 6, Issue 2, 2018, Pages 323-333]
  • Heterogeneous catalyst Improvement of Methyl Ester Production through Modified Rice Bran as a Heterogeneous Catalyst [Volume 6, Issue 4, 2018, Pages 805-814]
  • Heterogeneous Fenton Efficient Removal of Diclofenac from Pharmaceutical Wastewater Using Impregnated Zeolite Catalyst in Heterogeneous Fenton Process [Volume 7, Issue 1, 2019, Pages 37-52]
  • Heterostructure Codeposition of Fe3O4 Nanoparticles Sandwiched Between g-C3N4 and TiO2 Nanosheets: Structure, Characterization and High Photocatalytic Activity for Efficiently Degradation of Dye Pollutants [Volume 7, Issue 1, 2019, Pages 65-80]
  • Hexacyanoruthenate(II) An Inhibitory Kinetic Method for the Methionine Determination [Volume 10, Issue 2, 2022, Pages 283-292]
  • Hexagonal mesoporous silica Modified Mesoporous HMS Supported V/W for Oxidative Desulfurization of Dibenzothiophene [Volume 9, Issue 4, 2021, Pages 637-649]
  • HFE-374pc2 Ab Initio Theoretical Studies on the Kinetics of the Hydrogen Abstraction Reaction of Hydroxyl Radical with CH3CH2OCF2CHF2 (HFE-374pc2) [Volume 4, Issue 3, 2016, Pages 417-425]
  • Hirshfeld surface analysis DFT Studies on Molecular Structure, Absorption properties, NBO Analysis, and Hirshfeld Surface Analysis of Iron(III) Porphyrin Complex [Volume 9, Issue 4, 2021, Pages 701-713]
  • Histidine Secondary Structure Effects on the Acidity of Histidine and Lysine-Based Peptides Model; A Theoretical Study [Volume 3, Issue 1, 2015, Pages 67-77]
  • HMBC Synthesis, Antifungal Activity, and Molecular Docking Studies of Some New Di-O-Isopentanoyl Glucopyranosides [Volume 11, Issue 1, 2023, Pages 149-157]
  • HNO sensing HNO Detection by Nanosized B12N12 Cage: A DFT/TDDFT Study [Volume 4, Issue 4, 2016, Pages 693-706]
  • HOMO DFT Study of Nitrous Oxide Adsorption on the Surface of Pt-Decorated Graphene [Volume 4, Issue 4, 2016, Pages 619-626]
  • HOMO-LUMO Structural, Spectroscopic (UV-Vis and IR), Electronic and Chemical Reactivity Studies of (3,5-Diphenyl-4,5-dihydro-1H-pyrazol-1-yl)(phenyl)methanone [Volume 9, Issue 2, 2021, Pages 193-209]
  • HOMO-LUMO Synthesis, PASS, In Silico ADMET and Thermodynamic Studies of Some Galactopyranoside Esters [Volume 9, Issue 4, 2021, Pages 591-603]
  • HOMO-LUMO gap Comparative Computational Studies of 1,4-Diformyl-piperazine and 1,4-Dithionyl-Piperazine [Volume 6, Issue 2, 2018, Pages 263-285]
  • HOMO-LUMO gap Investigation of Structural and Optoelectronic Properties of Sc2O3 Nanoclusters: A DFT Study [Volume 6, Issue 3, 2018, Pages 493-504]
  • HOMO-LUMO isosurfaces Structural and Electronic Properties of Novel π-Conjugated Aniline-based Oligomers: A Computational Study [Volume 6, Issue 3, 2018, Pages 583-598]
  • Host-guest inclusion Theoretical Investigation of the Complexation Reaction of Procaine-hydrochloride by β-cyclodextrin [Volume 8, Issue 1, 2020, Pages 155-165]
  • HPLC Nano Particle CORONA Formation; Rather than Proteins [Volume 7, Issue 4, 2019, Pages 849-857]
  • HPLC method Liquid-Liquid Equilibrium Data of the Ternary Mixture of (Water + Phosphoric Acid + Heptyl Acetate) at 298.2 K and ≈ 102 kPa [Volume 8, Issue 3, 2020, Pages 497-509]
  • HSA Insights into Platinum Complex-HSA Bindings: Spectral and Molecular Dynamics Simulation Studies [Volume 9, Issue 3, 2021, Pages 427-446]
  • Hubbard model Spin-polarized transport through a zigzag-edge graphene flake embedded between two armchair nanoribbons electrodes [Volume 2, Issue 2, 2014, Pages 146-150]
  • Human blood Electrochemical Evaluation of the Catalytic Effect of Natural Phosphate on the Oxidation of Aascorbic Acid: Analytical Application in Human Blood [Volume 9, Issue 1, 2021, Pages 85-98]
  • Human chorionic gonadotropin (hCG) Structural Properties of Human Chorionic Gonadotropin (hCG) Affected by Ultrasonic Irradiation: An in Vitro Study [Volume 9, Issue 3, 2021, Pages 467-482]
  • Human Serum Albumin Molecular Interaction of Benzalkonium Ibuprofenate and its Discrete Ingredients with Human Serum Albumin [Volume 1, Issue 2, 2013, Pages 111-116]
  • Human Serum Albumin Molecular Dynamics Simulation and Free Energy Studies on the Interaction of Salicylic Acid with Human Serum Albumin (HSA) [Volume 5, Issue 3, 2017, Pages 483-496]
  • Human Serum Albumin Spectroscopic, Docking and Molecular Dynamics Simulation Studies on the Interaction of Etofylline and Human Serum Albumin [Volume 7, Issue 3, 2019, Pages 681-699]
  • Human Serum Albumin Probing the Binding of Valacyclovir Hydrochloride to the Human Serum Albumin [Volume 7, Issue 4, 2019, Pages 751-764]
  • Human Serum Albumin Silver Nanoparticle Trypsin Corona Formation and the Impacts on Enzymatic Potency [Volume 8, Issue 2, 2020, Pages 241-250]
  • Human serum albumin (HSA) How Do Palladium Complexes Affect on Coil Structure of Human Serum Albumin in the Presence of Carbon Nanotube? A Molecular Dynamics Study [Volume 4, Issue 1, 2016, Pages 47-60]
  • Humic acid Adsorption Removal of Humic Acid from Water Using a Modified Algerian Bentonite [Volume 6, Issue 3, 2018, Pages 613-625]
  • Hybrid density functional theory A Computational Study on the Configurational Behaviors of Dihalodiazenes and their Analogues Containing P and As Atoms [Volume 4, Issue 2, 2016, Pages 303-313]
  • Hydrochloric acid Study of Activity Coefficient of Hydrochloric Acid in 2-Propanol-Water Mixture by Electromotive Force Measurement Method [Volume 2, Issue 2, 2014, Pages 151-158]
  • Hydrogel pH Sensitive Hydrogel Based Acrylic Acid for Controlled Drug Release [Volume 5, Issue 1, 2017, Pages 185-193]
  • Hydrogenation Nickel Hydrogenation Composite Catalysts Modified by Zirconium in Competitive Benzene Hydrogenation: Effect of Modifiers [Volume 8, Issue 2, 2020, Pages 203-213]
  • Hydrogenation mechanism Mechanism Discrimination for Bimolecular Reactions: Revisited with a Practical Hydrogenation Case Study [Volume 5, Issue 4, 2017, Pages 727-736]
  • Hydrogenation of benzene Catalytic Investigation of Aluminum Effects on Benzene Hydrogenation Selectivity over Nickel Supported HMS/HZSM-5 Composites [Volume 7, Issue 3, 2019, Pages 535-545]
  • Hydrogen atom transfer A Theoretical Study on the Structure-Radical Scavenging Activity of Some Hydroxyphenols [Volume 4, Issue 1, 2016, Pages 73-82]
  • Hydrogen bond DFT-PBE, DFT-D, and MP2 Studies on the H2O•••HNH and HOH•••NH2 Hydrogen Bonds in Water-Aniline Complexes [Volume 4, Issue 1, 2016, Pages 95-107]
  • Hydrogen bond Sensing Activity of a New Generation of Thiourea-based Receptors; A Theoretical Study on the Anion Sensing [Volume 4, Issue 3, 2016, Pages 427-440]
  • Hydrogen bond The Influence of Cation-π Interactions on the Strength and Nature of Intramolecular O...H Hydrogen Bond in Orthohydroxy Benzaldehyde Compound [Volume 5, Issue 1, 2017, Pages 57-68]
  • Hydrogen bond Molecular Structure, Linear, and Nonlinear Optical Properties of Piperazine-1,4-Diium Bis 2,4,6-Trinitrophenolate: A Theoretical Investigation [Volume 11, Issue 1, 2023, Pages 33-48]
  • Hydrogen bond Quantum Calculations of some Electronic and Structural Parameters for the System of Vitamin C and Different Sulfoxide Solvents [Volume 11, Issue 3, 2023, Pages 643-651]
  • Hydrogen bonding Tautomerism, Intramolecular H-bonding, Acidity and Complexation of 2,4-Dioxo-4-Phenylbutanoic Acid [Volume 7, Issue 2, 2019, Pages 375-394]
  • Hydrogen bonding Effect of Polarity on the Interaction Energies of some Organic Solvent (OS)-Water System and Formation of Donor-acceptor Complex: Quantum Mechanical MP4 Study [Volume 10, Issue 1, 2022, Pages 127-141]
  • Hydrogen bonding Insights into the Lignin Dissolution Mechanism of Water Content Tailored-choline Chloride (ChCl) Based Green Solvents for Biomass Pretreatment [Volume 11, Issue 3, 2023, Pages 605-614]
  • Hydrogen evolution Computational Study on Reduction Potential of [CoP4N2(OH2)2]2+ as a Super-Efficient Catalyst in Electrochemical Hydrogen Evolution [Volume 4, Issue 4, 2016, Pages 531-538]
  • Hydrogen formation Catalytic Decomposition of Methane and Ethylene into the Carbon and Hydrogen [Volume 3, Issue 1, 2015, Pages 46-57]
  • Hydrogen molecule adsorption on MIL-47-M (M = V Understanding Hydrogen Adsorption in MIL-47-M (M = V and Fe) through Density Functional Theory [Volume 4, Issue 4, 2016, Pages 607-617]
  • Hydrogen peroxide QM/MM Study on the Mechanism of Aminophenol Oxidation by Functionalized β-Cyclodextrin as Oxidase Nanomimic [Volume 4, Issue 4, 2016, Pages 519-530]
  • Hydrogen peroxide Biosynthesis of Silver Nanoparticles Using Leaves of Acacia Melanoxylon and their Application as Dopamine and Hydrogen Peroxide Sensors [Volume 8, Issue 1, 2020, Pages 1-18]
  • Hydrogen storage Hydrogen Adsorption on (5,0) and (3,3) Na-decorated BNNTs [Volume 5, Issue 3, 2017, Pages 447-463]
  • Hydrogen storage Study of Dehydrogenation of Pressure-induced NaBH4 Structures Using Calculated NQCC Parameters [Volume 6, Issue 3, 2018, Pages 657-666]
  • Hydrogen storage Synthesis of Reduced Graphene Oxide/Hexagonal Boron Nitride Nanocomposite as Efficient Hydrogen-Storage Medium for Fuel Cell Applications [Volume 12, Issue 2, 2024, Pages 419-428]
  • Hydrolytic stability Kinetic Analysis of Hydrolytic Decomposition of Rubrocurcumin Analogues [Volume 10, Issue 2, 2022, Pages 251-265]
  • Hydrophilicity Hydrophilicity and antibacterial properties of Ag / TiO2 nanoparticle [Volume 1, Issue 2, 2013, Pages 126-133]
  • Hydrophilic sites Removal of Methylene Blue Dye from an Aqueous Solution by an Adsorption Technique Using Sulfonated Polystyrene as Three Low-cost Adsorbents [Volume 12, Issue 2, 2024, Pages 453-465]
  • Hydrothermal method Structural, Morphological, and Optical Studies of ZnS-MoS2 Nanocomposite via Hydrothermal Route [Volume 10, Issue 2, 2022, Pages 293-300]
  • Hydrothermal method Synthesis of TiO2 Nanoparticles by Hydrothermal Method and Characterization of their Antibacterial Activity: Investigation of the Impact of Magnetism on the Photocatalytic Properties of the Nanoparticles [Volume 11, Issue 4, 2023, Pages 771-782]
  • Hydrothermal Synthesis The Effect of Sr-Doping on Structural, Optical, Catalytic, and Photocatalytic Properties of α-MnO2 Nanowires Synthesized via a Hydrothermal Route [Volume 11, Issue 3, 2023, Pages 559-574]
  • Hydroxyapatite Sustainable and Low-cost Hydroxyapatite/Starch for the Removal of Methylene Blue from Aqueous Solutions [Volume 12, Issue 1, 2024, Pages 73-84]
  • Hyperpolarizability A Theoretical Study of Nonlinear Optical Features of Alumina Nanostructures with the Groups III and VI Dopants [Volume 4, Issue 4, 2016, Pages 627-641]
  • Hyperpolarizability Molecular Structure, Linear, and Nonlinear Optical Properties of Piperazine-1,4-Diium Bis 2,4,6-Trinitrophenolate: A Theoretical Investigation [Volume 11, Issue 1, 2023, Pages 33-48]

I

  • ICT Insights into the Electronic Properties of Coumarins: A Comparative Study [Volume 11, Issue 2, 2023, Pages 267-286]
  • Ideal gas How the Nonextensivity Parameter Affects Energy Fluctuations [Volume 2, Issue 2, 2014, Pages 137-145]
  • Ideal mixture relation Computational Study of Debye Temperature for Liquid Mixtures-Thermal Energy Variations [Volume 8, Issue 1, 2020, Pages 167-173]
  • Imidazole Quantum Chemical and Molecular Docking Studies of Imidazole and Its Derivatives as the Active Antifungal Components against C. Albicans [Volume 8, Issue 3, 2020, Pages 457-469]
  • Imidazolium salts Antibacterial Activity of Short-Chained 1-Alkyl-3-methylimidazolium Bis(trifluoromethylsulfonyl) Imide Ionic Liquids [Volume 2, Issue 2, 2014, Pages 260-269]
  • Immobilization Influence of a Novel Magnetic Recoverable Support on Kinetic, Stability and Activity of Beta-amylase Enzyme [Volume 4, Issue 2, 2016, Pages 271-283]
  • Impedance A Study of Some Excess Thermodynamic Properties in Binary Mixtures of Non-Aqueous Solvents at Variable Temperatures [Volume 10, Issue 3, 2022, Pages 439-453]
  • Implicit-solvent simulation Amphiphilic Block Copolymer Nano-micelles: Effect of Length Ratio of the Hydrophilic Block [Volume 3, Issue 3, 2015, Pages 239-245]
  • Impregnation Optimizing the Preparation Conditions of Silica Supported Fe-Co-Ce Ternary Catalyst for the Fixed-bed Fischer-Tropsch Synthesis: Taguchi Experimental Design Approach [Volume 6, Issue 2, 2018, Pages 387-397]
  • Impregnation Nickel Hydrogenation Composite Catalysts Modified by Zirconium in Competitive Benzene Hydrogenation: Effect of Modifiers [Volume 8, Issue 2, 2020, Pages 203-213]
  • Inclination Angle Combined Effects of Inclination Angle and Imposed Flow on Mixed Convective Cooling Inside a Vented Cavity Crossed by Nanofluids [Volume 11, Issue 3, 2023, Pages 631-642]
  • Individual hydrogen bond The effect of some mono and bivalent metal cations on the individual hydrogen bond energies in A−T and G−C base pairs [Volume 1, Issue 1, 2013, Pages 81-89]
  • Indole triazole Prediction of Novel TRPV1 Antagonist: A Combination of 3D-QSAR, Molecular Docking, MD Simulations and ADMET Prediction [Volume 11, Issue 2, 2023, Pages 353-368]
  • Infrared Mechano-Optical Study of the Deformation of Polymer Films [Volume 12, Issue 2, 2024, Pages 393-406]
  • Infrared (IR) spectra Theoretical Studies of the Vibrational Spectra and Molecular Structures of Dosulepin and Doxepin [Volume 4, Issue 2, 2016, Pages 245-270]
  • Inhibition constant (Ki) Modified D-Glucofuranoses as New Black Fungus Protease Inhibitors: Computational Screening, Docking, Dynamics, and QSAR Study [Volume 10, Issue 2, 2022, Pages 195-209]
  • Inhibitor 817M40T Mild Steel Corrosion Remediation in 0.5 M Hydrochloric Acidic Environment Using Alkaloid and Flavonoid Extracts of Salvia Officinalis [Volume 12, Issue 1, 2024, Pages 121-133]
  • Inhibitor The Effect of Alyssum Floribundum Boiss. & Balansa (Brassicaceae) Leaves Extract on the Corrosion of Mild Steel in an Acidic Medium [Volume 12, Issue 2, 2024, Pages 321-332]
  • Inhibitor efficiency Curcumin and Curcumin Derivatives as Green Corrosion Inhabitor-A Review [Volume 11, Issue 4, 2023, Pages 825-835]
  • Inhibitory effect An Inhibitory Kinetic Method for the Methionine Determination [Volume 10, Issue 2, 2022, Pages 283-292]
  • Inorganic/organic hybrid materials Adsorption of Different Dyes from Aqueous Solutions Using Organo-clay Compposites [Volume 8, Issue 4, 2020, Pages 767-787]
  • In silico mutagenesis An Approach to Increase the Efficiency of Uricase by Computational Mutagenesis [Volume 11, Issue 3, 2023, Pages 481-491]
  • In silico mutagenesis A Computational Investigation on Immunogenicity of Uricase from Aspergillus Flavus and Candida Utilis [Volume 11, Issue 3, 2023, Pages 683-693]
  • In situ Sustainable and Low-cost Hydroxyapatite/Starch for the Removal of Methylene Blue from Aqueous Solutions [Volume 12, Issue 1, 2024, Pages 73-84]
  • Intensity modulation Modulation Response and Relative Intensity Noise Spectra in Quantum Cascade Lasers [Volume 5, Issue 2, 2017, Pages 377-394]
  • Intensity noise Modulation Response and Relative Intensity Noise Spectra in Quantum Cascade Lasers [Volume 5, Issue 2, 2017, Pages 377-394]
  • Interaction Ion Pair [NaCMC-CAPB] Complex Formed via Interaction of Carboxymethylcellulose Sodium Salt (NaCMC) with Cocamidopropyl Betaine (CAPB) [Volume 11, Issue 3, 2023, Pages 549-558]
  • Interaction Impact of Oil Viscosity on Carbon Stabilization Using Polyisobutylene Succinimide (PIBSI) Dispersant [Volume 12, Issue 1, 2024, Pages 85-93]
  • Interaction energy Theoretical Investigation of Interaction between 5-Fluorouracil Anticancer Drug with Various Nitrosamine Compounds [Volume 3, Issue 2, 2015, Pages 155-167]
  • Interaction energy A New Surface Tension Model for Prediction of Interaction Energy between Components and Activity Coefficients in Binary Systems [Volume 6, Issue 2, 2018, Pages 335-363]
  • Interaction energy Investigation of Physicochemical Properties of Aggregated Models of [MIM+]2[C(CN)3-]2 Ionic Liquid: A Theoretical Study [Volume 8, Issue 2, 2020, Pages 343-354]
  • Intercalation Adsorption Removal of Humic Acid from Water Using a Modified Algerian Bentonite [Volume 6, Issue 3, 2018, Pages 613-625]
  • Interfacial Interfacial Synthesis of Polyaniline-(Ag-Au) Alloy Nanocomposite [Volume 10, Issue 2, 2022, Pages 273-281]
  • Interfacial Tension Measuring Interfacial Tension Between Oil and Nano-Saline Solutions in the Presence of SiO2 or TiO2 at Low and Intermediate Pressures [Volume 10, Issue 2, 2022, Pages 163-171]
  • Intermediate Molecular dynamics studies on the denaturation of polyalanine in the presence of guanidinium chloride at low concentration [Volume 1, Issue 2, 2013, Pages 152-165]
  • Intermolecular free length A Study of Some Excess Thermodynamic Properties in Binary Mixtures of Non-Aqueous Solvents at Variable Temperatures [Volume 10, Issue 3, 2022, Pages 439-453]
  • Intermolecular hydrogen bonding Computational study of the intramolecular proton transfer between 6-hydroxypicolinic acid tautomeric forms and intermolecular hydrogen bonding in their dimers [Volume 1, Issue 2, 2013, Pages 117-125]
  • Intermolecular hydrogen bonding Theoretical Investigation of Interaction between 5-Fluorouracil Anticancer Drug with Various Nitrosamine Compounds [Volume 3, Issue 2, 2015, Pages 155-167]
  • Intermolecular Interactions Measurement of Selected Thermophysical and Viscosity of Binary Mixtures of Nitromethane with 2-Propanol, 2-Butanol and 2-Pentanol [Volume 5, Issue 1, 2017, Pages 13-24]
  • Intermolecular Interactions Excess Speed of Sound and Excess Molar Isentropic Compressibility in Binary Mixtures of Selected Amines in 2-Methoxy Ethanol at Various Temperatures [Volume 10, Issue 3, 2022, Pages 379-390]
  • Intermolecular potential energy Semi Empirical Calculation of Intermolecular Potentials and Transport Properties of Some Binary and Ternary Industrial Refrigerant Mixtures [Volume 7, Issue 2, 2019, Pages 271-293]
  • Intersystem crossing Ultrafast Luminescence Decay in Rhenium(I) Complexes with Imidazo[4,5-f]-1,10-Phenanthroline Ligands: TDDFT Method [Volume 8, Issue 4, 2020, Pages 609-627]
  • Intramolecular hydrogen bond Anion˗π and Intramolecular Hydrogen Bond Interactions in the Various Complexes of 1,3,5-Triamino-2,4,6-trinitrobenzene with H-, F-, Cl- and Br- Anions [Volume 6, Issue 2, 2018, Pages 251-262]
  • Intramolecular proton transfer (IPT) Computational study of the intramolecular proton transfer between 6-hydroxypicolinic acid tautomeric forms and intermolecular hydrogen bonding in their dimers [Volume 1, Issue 2, 2013, Pages 117-125]
  • Inversion curve Application of Carnahan-Starling-vdW-β Equation of State for Refrigerant Fluids [Volume 6, Issue 2, 2018, Pages 447-462]
  • In-vitro assay Theoretical and Experimental Investigations for Identification of Anaphylactic Lymphoma Kinase inhibitors [Volume 12, Issue 3, 2024, Pages 591-620]
  • Iodine number Steam Regeneration of Exhausted Activated Carbon Used in Natural Gas Dehydration by a Triethylene Glycol Unit [Volume 12, Issue 1, 2024, Pages 109-119]
  • Ion associations constant Conductometric Analysis of some Ionic Liquids, 1-Alkyl-3-methylimidazolium Bromide with Aspirin in Acetonitrile Solutions [Volume 4, Issue 3, 2016, Pages 355-368]
  • Ionic Liquid Molecular Interaction of Benzalkonium Ibuprofenate and its Discrete Ingredients with Human Serum Albumin [Volume 1, Issue 2, 2013, Pages 111-116]
  • Ionic Liquid Vapor-Pressure Osmometry and Conductivity Determination of Salting-Out Effects in Aqueous Surface-Active Ionic Liquid 1-Dodecyl-3-methylimidazolium Bromide Solutions [Volume 2, Issue 2, 2014, Pages 159-170]
  • Ionic Liquid Antibacterial Activity of Short-Chained 1-Alkyl-3-methylimidazolium Bis(trifluoromethylsulfonyl) Imide Ionic Liquids [Volume 2, Issue 2, 2014, Pages 260-269]
  • Ionic Liquid An Accurate Empirical Correlation to Estimate Sonic speed of Ionic Liquids [Volume 3, Issue 2, 2015, Pages 169-178]
  • Ionic Liquid Volumetric, Acoustic and Conductometric Studies of Acetaminophen in Aqueous Ionic Liquid, 1-Octyl-3-methylimidazolium Bromide at T = 293.15-308.15 K [Volume 4, Issue 1, 2016, Pages 119-141]
  • Ionic Liquid Investigation of Volumetric and Acoustic Properties of Ionic Liquid + Amino Acid + Water Systems at Different Temperatures [Volume 6, Issue 3, 2018, Pages 531-546]
  • Ionic Liquid A New Simple Model to Calculate the Heat Capacity of Pure Ionic Liquids [Volume 8, Issue 1, 2020, Pages 139-154]
  • Ionic Liquids Conductometric Analysis of some Ionic Liquids, 1-Alkyl-3-methylimidazolium Bromide with Aspirin in Acetonitrile Solutions [Volume 4, Issue 3, 2016, Pages 355-368]
  • Ionic Liquids Relaxation Processes in a Dimethylimidazolium Chloride-methanol System [Volume 9, Issue 2, 2021, Pages 301-310]
  • Ionization energy Structural Investigation, Proton and Electron Affinities, Gas Phase Basicities, and Ionization Energies of Captopril [Volume 7, Issue 2, 2019, Pages 245-259]
  • Ionization potential A Theoretical Study on the Structure-Radical Scavenging Activity of Some Hydroxyphenols [Volume 4, Issue 1, 2016, Pages 73-82]
  • Ionized gas Thermodynamic properties of the ionized gas 3He [Volume 2, Issue 1, 2014, Pages 90-95]
  • Ion pair Selective Binding of Cyclic Nanopeptide with Halides and Ion Pairs; a DFT-D3 Study [Volume 5, Issue 3, 2017, Pages 425-437]
  • Ion selective Ortho-phenylenediamine Based Bis-ureas as the Ion Selective Sensors; A QM/MD Study [Volume 7, Issue 4, 2019, Pages 785-797]
  • IR and raman spectra Computational Study of the Precursor Spectroelectrochemistry of Guanine [Volume 8, Issue 4, 2020, Pages 719-735]
  • Iron catalyst Deactivation of Iron Fischer-Tropsch Catalyst in the Presence of Different Promoters: Model Determination and Parameter Estimation Using a Hybrid ANN/GPLE Technique [Volume 11, Issue 4, 2023, Pages 761-770]
  • Iron-copper nanocomposites Using Iron-copper Nanocomposites Prepared by Peanut Vine Extracts for the Removal of Pefloxacin and Enrofloxacin from an Aqueous Solution: Isotherms, Kinetics, and Mechanism [Volume 9, Issue 2, 2021, Pages 327-344]
  • Iron(III) porphyrin complex DFT Studies on Molecular Structure, Absorption properties, NBO Analysis, and Hirshfeld Surface Analysis of Iron(III) Porphyrin Complex [Volume 9, Issue 4, 2021, Pages 701-713]
  • Iron-ligand Complexation of Modified Deferasirox with Iron Cation in Three-multiplicities: A Theoretical Study on the [SPION-APTMS-DFX-Fe] Nanostructure [Volume 9, Issue 1, 2021, Pages 31-42]
  • Iron Oxide Nanoparticles Synthesis and Characterization of α-Fe2O3 Nanoparticles by Simple Co-Precipitation Method [Volume 3, Issue 3, 2015, Pages 191-196]
  • Iron oxide particles How Co-Precipitation Reaction Parameters Control the Characteristics and Features of Iron Oxide Nanoparticles [Volume 9, Issue 2, 2021, Pages 241-252]
  • IR spectra Structural and Electronic Properties of Novel π-Conjugated Aniline-based Oligomers: A Computational Study [Volume 6, Issue 3, 2018, Pages 583-598]
  • Isentropic compressibility Estimating the Acoustical Parameters and Molecular Interactions of n-Butylammonium perchlorate in Mixed Organic Solvents in the Temperature Range 298-328 K [Volume 8, Issue 4, 2020, Pages 737-753]
  • Isentropic compressibility Study of Molecular Interactions of Fossil Fuels through Acoustic and Volumetric Data [Volume 11, Issue 1, 2023, Pages 129-137]
  • Isodesmic reaction Computational Study on Reduction Potential of [CoP4N2(OH2)2]2+ as a Super-Efficient Catalyst in Electrochemical Hydrogen Evolution [Volume 4, Issue 4, 2016, Pages 531-538]
  • Isomerism Interconversions among the E⇆Z-Carotene Isomers: Theoretical Study [Volume 9, Issue 1, 2021, Pages 69-83]
  • Isotherm Physical Chemistry Studies of Acid Dye Removal from Aqueous Media by Mesoporous Nano Composite: Adsorption Isotherm, Kinetic and Thermodynamic Studies [Volume 5, Issue 4, 2017, Pages 659-679]
  • Isotherm Preparation of Phosphorus Doped Graphitic Carbon Nitride Using a Simple Method and Its Application for Removing Methylene Blue [Volume 8, Issue 1, 2020, Pages 31-44]
  • Isotherm Kinetic, Isotherm, and Thermodynamic Studies of Methylene Blue Adsorption over Metal-doped Zeolite Nano-adsorbent [Volume 9, Issue 1, 2021, Pages 17-30]
  • Isotherm Functionalized Banana Stalk for Lumefantrine Drug Removal [Volume 9, Issue 3, 2021, Pages 483-507]
  • Isotherm Adsorption of Vanadium Using Amberlite IRA-68 Resin from Aqueous Solution: Kinetics and Thermodynamics Studies [Volume 11, Issue 4, 2023, Pages 929-942]
  • Isotherm Removal of Acid Blue 113 Textile Dye from Synthetic Aqueous Solution by Adsorption and Flocculation Process Using Cationic Copolymer Poly(n-hexadecyl-4-vinylpyridinium Bromide) [Volume 12, Issue 1, 2024, Pages 61-72]
  • Isotherm Zero-Valent Iron Nanoparticles (NZVI) Supported by Zeolite Clinoptilolite-Supported for Removal of Cu(II) Ions by Adsorption: A Optimization Study by Response Surface Methodology (RSM) [Volume 12, Issue 2, 2024, Pages 429-440]
  • Isothermal titration calorimetry Biological Applications of Isothermal Titration Calorimetry [Volume 3, Issue 4, 2015, Pages 319-330]
  • Isotherm models Adsorption Properties of Folic Acid onto Functionalized Carbon Nanotubes: Isotherms and Thermodynamics Studies [Volume 5, Issue 3, 2017, Pages 519-529]
  • Isotherm models Phenol Adsorption from Aqueous Phase onto Prepared Low-cost Carbons from Natural Sources: A Comparative Study [Volume 7, Issue 2, 2019, Pages 327-346]
  • Isotherm models Adsorption Behaviour of Reactive Black Dye 5 by Magnetically Separable Nano-adsorbent [Volume 7, Issue 3, 2019, Pages 475-490]
  • Isotherms Removal of Antibiotic Sulfamethazine from Aqueous Media [Volume 9, Issue 2, 2021, Pages 165-180]
  • Isotherms Removal of Congo Red from Aqueous Solution Using Cuttlefish Bone Powder [Volume 9, Issue 4, 2021, Pages 565-577]
  • Isotherms Adsorption of the Methylene Blue Dye in Environmental Water Samples by Biochar Obtained from the Valorization of Argan Shells [Volume 10, Issue 3, 2022, Pages 301-313]
  • Isotope pattern Design, Construction and Calibration of a Laser Ionization Time-of-Flight Mass Spectrometer [Volume 2, Issue 2, 2014, Pages 202-216]

K

  • Kaolin Flocculation of Clay Suspensions Using Copolymers Based on Acrylamide and Biopolymer [Volume 11, Issue 2, 2023, Pages 221-230]
  • Kaolin Spectral, Isotherm, Kinetic, and Thermodynamic Studies of Malachite Green Dye Adsorption from Aqueous Solutions onto Low-cost Treated Kaolin [Volume 12, Issue 1, 2024, Pages 47-60]
  • KCl Mean Activity Coefficients Measurements and Thermodynamic Modeling of the Ternary Mixed Electrolyte KCl + Lactose + Water System at T = 298.15 K [Volume 5, Issue 4, 2017, Pages 783-794]
  • Kernel density estimator Detecting pitting corrosion and its severity using wavelet entropy in electrochemical noise measurement [Volume 2, Issue 1, 2014, Pages 116-122]
  • Key word: BPNTs Gallium and Arsenic doped on (4, 4) armchair and (8, 0) zigzag models of Boron phosphide nanotubes: NMR study [Volume 1, Issue 1, 2013, Pages 90-98]
  • Kinematic viscosity Prediction and Optimization of the Effects of Combining Ultrasonic Waves and Solvent on the Viscosity of Residue Fuel Oil by ANN and ANFIS [Volume 4, Issue 3, 2016, Pages 333-353]
  • Kinetic Influence of a Novel Magnetic Recoverable Support on Kinetic, Stability and Activity of Beta-amylase Enzyme [Volume 4, Issue 2, 2016, Pages 271-283]
  • Kinetic Physical Chemistry Studies of Acid Dye Removal from Aqueous Media by Mesoporous Nano Composite: Adsorption Isotherm, Kinetic and Thermodynamic Studies [Volume 5, Issue 4, 2017, Pages 659-679]
  • Kinetic Catalytic Investigation of Aluminum Effects on Benzene Hydrogenation Selectivity over Nickel Supported HMS/HZSM-5 Composites [Volume 7, Issue 3, 2019, Pages 535-545]
  • Kinetic Kinetic, Isotherm, and Thermodynamic Studies of Methylene Blue Adsorption over Metal-doped Zeolite Nano-adsorbent [Volume 9, Issue 1, 2021, Pages 17-30]
  • Kinetic Grafting Drugs to Functionalized Single-wall Carbon Nanotubes as a Potential Method for Drug Delivery [Volume 9, Issue 1, 2021, Pages 57-68]
  • Kinetic Removal of Congo Red from Aqueous Solution Using Cuttlefish Bone Powder [Volume 9, Issue 4, 2021, Pages 565-577]
  • Kinetic Thermodynamic, Kinetic, Batch Adsorption and Isotherm Models for the Adsorption of Nickel from an Artificial Solution Using Chloroxylon Swietenia Activated Carbon [Volume 10, Issue 3, 2022, Pages 315-324]
  • Kinetic Removal of Acid Blue 113 Textile Dye from Synthetic Aqueous Solution by Adsorption and Flocculation Process Using Cationic Copolymer Poly(n-hexadecyl-4-vinylpyridinium Bromide) [Volume 12, Issue 1, 2024, Pages 61-72]
  • Kinetic investigation Experimental and Theoretical Study of Stable Phosphorus Ylides Derived from 5-Nitroindazole in the Presence of Different Acetyelenic Esters: Furthure Insight into the Reaction Mechanism [Volume 4, Issue 2, 2016, Pages 221-230]
  • Kinetic Model Kinetic Study of Fischer Tropsch Synthesis over co Precipitated Iron-Cerium Catalyst [Volume 1, Issue 1, 2013, Pages 69-80]
  • Kinetic Model Kinetic Model Study of Dry Reforming of Methane Using Cold Plasma [Volume 5, Issue 2, 2017, Pages 395-408]
  • Kinetic Monte Carlo Simulation Kinetic Monte Carlo Study of Biodiesel Production through Transesterification of Brassica Carinata Oil [Volume 5, Issue 2, 2017, Pages 329-338]
  • Kinetics Kinetic Aspects of Tetrahydrobenzo[b]pyran Formation in the Presence of Fructose as a Green Catalyst: a Mechanistic Investigation [Volume 4, Issue 3, 2016, Pages 379-390]
  • Kinetics Chemical Kinetics for Reaction of 5-Nitro-1H-benzo[d]imidazole to Produce 6-Nitro-1H-benzo[d]imidazole and Calculation of Heat Capacity of Activation [Volume 5, Issue 3, 2017, Pages 409-424]
  • Kinetics Theoretical Study on the Kinetics of the Reaction of C2H with C2H2 [Volume 6, Issue 1, 2018, Pages 143-157]
  • Kinetics Study of HMS Modified ZrO2 Supported Platinum Catalysts for Toluene Removal: Catalytic Combustion and Kinetics Study [Volume 6, Issue 4, 2018, Pages 721-728]
  • Kinetics Kinetic Study and Modelling of n-Heptane Reforming Process over Pt/Zr-HMS/HZSM-5 Composite Catalysts [Volume 7, Issue 1, 2019, Pages 1-9]
  • Kinetics Adsorption Behaviour of Reactive Black Dye 5 by Magnetically Separable Nano-adsorbent [Volume 7, Issue 3, 2019, Pages 475-490]
  • Kinetics Interconversions among the E⇆Z-Carotene Isomers: Theoretical Study [Volume 9, Issue 1, 2021, Pages 69-83]
  • Kinetics Removal of Antibiotic Sulfamethazine from Aqueous Media [Volume 9, Issue 2, 2021, Pages 165-180]
  • Kinetics Functionalized Banana Stalk for Lumefantrine Drug Removal [Volume 9, Issue 3, 2021, Pages 483-507]
  • Kinetics Quality Parameters, Empirical and Kinetic Models of Lycopene and Beta-carotene Bioformation in Tomatoes (Solanum lycopersicum) [Volume 10, Issue 1, 2022, Pages 151-162]
  • Kinetics Adsorption of the Methylene Blue Dye in Environmental Water Samples by Biochar Obtained from the Valorization of Argan Shells [Volume 10, Issue 3, 2022, Pages 301-313]
  • Kinetics Comparative Kinetic Study of Palladium(II) Catalyzed and Uncatalyzed Oxidation of Ambroxol Hydrochloride with Potassium Permanganate in an Aqueous Alkaline Medium: A Mechanistic Approach [Volume 11, Issue 4, 2023, Pages 865-875]
  • Kinetics Adsorption of Vanadium Using Amberlite IRA-68 Resin from Aqueous Solution: Kinetics and Thermodynamics Studies [Volume 11, Issue 4, 2023, Pages 929-942]
  • Kinetics Coupling Interaction of Ampicillin Drug with Ninhydrin in Aqueous Acidic Medium: Kinetics and Mechanistic Studies [Volume 12, Issue 1, 2024, Pages 145-156]
  • Kinetics Kinetics of Vinyl Radical with Chlorine Molecules, A Theoretical Study [Volume 12, Issue 2, 2024, Pages 441-451]
  • Kinetic simulation Kinetic Monte Carlo Simulation of Oxalic Acid Ozonationover Lanthanum-based Perovskitesas Catalysts [Volume 5, Issue 1, 2017, Pages 1-11]
  • Kinetic studies Products of the Self-Reaction of HCO Radicals: Theoretical Kinetics Studies [Volume 7, Issue 1, 2019, Pages 81-94]
  • Kinetic study Removal of Methyl Orange from Aqueous Solutions by Ferromagnetic Fe/Ni Nanoparticles [Volume 6, Issue 2, 2018, Pages 433-446]
  • Kinetic study Elaboration and Characterization of Organo-Ghassoul (Moroccan Clay) as an Adsorbent Using Cationic Surfactant for Anionic Dye Adsorption [Volume 11, Issue 4, 2023, Pages 913-928]
  • Kinetic thermal degradation Thermal Degradation Kinetic Study of a Fuel-rich Energetic Mixture Containing Epoxy Binder [Volume 4, Issue 3, 2016, Pages 369-378]
  • KOH Kinetic Monte Carlo Study of Biodiesel Production through Transesterification of Brassica Carinata Oil [Volume 5, Issue 2, 2017, Pages 329-338]
  • Kombucha Scoby Pb(II) Removal from Synthetic Wastewater Using Kombucha Scoby and Graphene Oxide/Fe3O4 [Volume 6, Issue 4, 2018, Pages 759-771]

L

  • Lactic acid Experimental and Theoretical Study of Phase Equilibria in Aqueous Mixtures of Lactic Acid with Benzyl Alcohol and p-Xylene at Various Temperatures [Volume 4, Issue 3, 2016, Pages 489-505]
  • Lactic acid Measurement, Correlation and Prediction of LLE Data for the Ternary System Water + Lactic Acid + Diethyl Ether at 293.2 K [Volume 9, Issue 2, 2021, Pages 181-192]
  • Lactose Mean Activity Coefficients Measurements and Thermodynamic Modeling of the Ternary Mixed Electrolyte KCl + Lactose + Water System at T = 298.15 K [Volume 5, Issue 4, 2017, Pages 783-794]
  • Langmuir Removal of Pb(II) Ion from Aqueous Solution Using As-synthesized CuO/Cu2O Nanocomposites [Volume 11, Issue 1, 2023, Pages 171-180]
  • Langmuir-Hinshelwood Mechanism Discrimination for Bimolecular Reactions: Revisited with a Practical Hydrogenation Case Study [Volume 5, Issue 4, 2017, Pages 727-736]
  • Langmuir-Hinshelwood model Kinetic Study and Modelling of n-Heptane Reforming Process over Pt/Zr-HMS/HZSM-5 Composite Catalysts [Volume 7, Issue 1, 2019, Pages 1-9]
  • Lanosterol 14-α-demethylase Synthesis, Antifungal Activity, and Molecular Docking Studies of Some New Di-O-Isopentanoyl Glucopyranosides [Volume 11, Issue 1, 2023, Pages 149-157]
  • Lanthanum-based perovskites Kinetic Monte Carlo Simulation of Oxalic Acid Ozonationover Lanthanum-based Perovskitesas Catalysts [Volume 5, Issue 1, 2017, Pages 1-11]
  • Lanthanum(III) oxide nanoparticles Lanthania Colloidal Nanoparticles: Hydrothermal Synthesis, Structural, and Rheological Properties [Volume 4, Issue 2, 2016, Pages 143-151]
  • Laser ionization Design, Construction and Calibration of a Laser Ionization Time-of-Flight Mass Spectrometer [Volume 2, Issue 2, 2014, Pages 202-216]
  • Lattice energy Metal-Containing Ionic Liquids: Anion and Cation Contribution on Thermo-Physical Parameters [Volume 12, Issue 1, 2024, Pages 175-187]
  • Lattice-hole theory Liquid Density Modeling of Pure Refrigerants Using Four Lattice-Hole Theory Based Equations of State [Volume 4, Issue 1, 2016, Pages 17-33]
  • Layered double hydroxide Response Surface Methodology (RSM) for Statistical Optimization of Cd2+ Removal Using Modified Zn2Al-layer Double Hydroxide by Quinoline Yellow [Volume 8, Issue 2, 2020, Pages 313-341]
  • Layered double hydroxide Optimization of Adsorption Process Parameters of Allura Red Removal Using Nanodiopside/Zn-Fe Layered Double Hydroxide Composite by Response Surface Methodology: A Kinetic, Thermodynamic, and Equilibrium Approach [Volume 11, Issue 1, 2023, Pages 63-78]
  • LD and ELD parameters Effect of Alkyl Tail on the Visible Spectra and Order Parameters S of some Azo N-Ester-1,8-naphthalimide(ANEN) Disperse Dyestuff [Volume 3, Issue 3, 2015, Pages 229-237]
  • Lead removal Efficient Lead(II) Adsorption onto Mesoporous Silica Aerogels Synthesized via Green Method, Organic Solvents, and Modified Aging [Volume 12, Issue 1, 2024, Pages 1-9]
  • Li+ and Na+ Adsorption of F-, Cl-, Li+ and Na+ on the Exterior Surface of Mg12O12 Nanocage in the Gas Phase and Water Media: A DFT Study [Volume 4, Issue 4, 2016, Pages 591-605]
  • Lifetime Influence of Nanoscopic Micellar Confinements and Rotational Dynamics of Anticancer Drug Doxorubicin [Volume 11, Issue 3, 2023, Pages 471-479]
  • Ligand binding Biological Applications of Isothermal Titration Calorimetry [Volume 3, Issue 4, 2015, Pages 319-330]
  • Ligand-receptor interaction Docking and 2D-Structure-activity Relationship and ADMET Studies of Acetylcholinesterase Inhibitors [Volume 10, Issue 1, 2022, Pages 31-44]
  • Ligand substitution reaction An Inhibitory Kinetic Method for the Methionine Determination [Volume 10, Issue 2, 2022, Pages 283-292]
  • Light cycle oil desulfurization Optimization of the Oxidative Desulfurization Process of Light Cycle Oil with NiMo/γ Al2O3 Catalyst [Volume 10, Issue 1, 2022, Pages 57-67]
  • Light hydrocarbons Preparation of Iron-cobalt-cerium Heterogeneous Nano-catalysts to Produce Light Hydrocarbons from Synthesis Gas [Volume 6, Issue 4, 2018, Pages 785-794]
  • Light olefin Optimizing the Preparation Conditions of Silica Supported Fe-Co-Ce Ternary Catalyst for the Fixed-bed Fischer-Tropsch Synthesis: Taguchi Experimental Design Approach [Volume 6, Issue 2, 2018, Pages 387-397]
  • Light olefins A review of Fischer-Tropsch synthesis on the cobalt based catalysts [Volume 2, Issue 2, 2014, Pages 179-201]
  • Lignin dissolution Insights into the Lignin Dissolution Mechanism of Water Content Tailored-choline Chloride (ChCl) Based Green Solvents for Biomass Pretreatment [Volume 11, Issue 3, 2023, Pages 605-614]
  • Li-ion battery DFT Study of Adsorption of Lithium on Si, Ge-doped Divacancy Defected Graphene as Anode Material of Li-ion Battery [Volume 6, Issue 4, 2018, Pages 871-878]
  • LiMnPO4 Synthesis and Characterization of LiMnPO4/Carbon Nanocomposite Material as Cathode Material [Volume 4, Issue 2, 2016, Pages 285-289]
  • Lipid-protein interactions Molecular Insight into the Mutual Interactions of Two Transmembrane Domains of Human Glycine Receptor (TM23-GlyR), with the Lipid Bilayers [Volume 8, Issue 3, 2020, Pages 373-397]
  • Liquid An Accurate Correlation to Estimate Saturated Molar Volume of Liquids [Volume 4, Issue 3, 2016, Pages 479-488]
  • Liquid 3He Calculation of Thermodynamic Properties of the Quasi-one Dimensional Liquid 3He at Finite Temperature [Volume 2, Issue 2, 2014, Pages 252-259]
  • Liquid 3He Variational Calculations for the Relativistic Interacting Fermion System at Finite Temperature: Application to Liquid 3He [Volume 5, Issue 1, 2017, Pages 99-112]
  • Liquid density Liquid Density Modeling of Pure Refrigerants Using Four Lattice-Hole Theory Based Equations of State [Volume 4, Issue 1, 2016, Pages 17-33]
  • Liquid density Application of Carnahan-Starling-vdW-β Equation of State for Refrigerant Fluids [Volume 6, Issue 2, 2018, Pages 447-462]
  • Liquid-liquid equilibria Effect of Magnetic Field on the Liquid-liquid Equilibria of (Water + Acetic Acid + Organic Solvent) Ternary Systems [Volume 5, Issue 1, 2017, Pages 125-134]
  • Liquid-liquid equilibria Liquid-Liquid Equilibrium Data of the Ternary Mixture of (Water + Phosphoric Acid + Heptyl Acetate) at 298.2 K and ≈ 102 kPa [Volume 8, Issue 3, 2020, Pages 497-509]
  • Liquid-liquid equilibria Liquid-liquid Equilibrium Data of Aqueous Mixtures of Butyric Acid with 2-Methylcyclohexanol at Different Temperatures and 102.1 kPa [Volume 10, Issue 3, 2022, Pages 411-420]
  • Liquid-liquid equilibrium Experimental and Theoretical Study of Phase Equilibria in Aqueous Mixtures of Lactic Acid with Benzyl Alcohol and p-Xylene at Various Temperatures [Volume 4, Issue 3, 2016, Pages 489-505]
  • Liquid-liquid equilibrium Separation of Formic Acid from Aqueous Solutions by Liquid Extraction Technique at Different Temperatures [Volume 7, Issue 1, 2019, Pages 201-215]
  • Liquid-liquid equilibrium Measurement and Correlation of LLE Data for the Ternary System Water + Phosphoric Acid + 1-Undecanol at 303.2 K [Volume 7, Issue 2, 2019, Pages 425-434]
  • Liquid-liquid equilibrium Separation of Acetic Acid from Water Using Organic Solvents: Liquid-Liquid Equilibrium Thermodynamic Investigation [Volume 8, Issue 2, 2020, Pages 267-280]
  • Liquid-liquid equilibrium Measurement, Correlation and Prediction of LLE Data for the Ternary System Water + Lactic Acid + Diethyl Ether at 293.2 K [Volume 9, Issue 2, 2021, Pages 181-192]
  • Liquid-liquid equilibrium A Comparative Study on Water and Ethanol Separation Mixture by Different Solvents: New Experimental and Correlation Data [Volume 9, Issue 4, 2021, Pages 689-700]
  • Liquid-liquid equilibrium Measurement and Thermodynamic Modeling of LLE Data of Ternary System (Water + Caproic Acid + Undecan-1-ol) at 298.2 K [Volume 11, Issue 3, 2023, Pages 615-622]
  • Liquid membrane Liquid Membrane-based Extraction of Arsenic: Part 2-Optimization through Statistical and Machine Learning Approach [Volume 12, Issue 2, 2024, Pages 525-547]
  • Lithium bonding Interplay Between Lithium Bonding and Halogen Bonding in F3CX•••YLi•••NCCN and F3CX•••NCCN•••LiY Complexes (X = Cl, Br; Y = CN, NC) [Volume 2, Issue 2, 2014, Pages 171-178]
  • Lithium cation Nature of Lithium Interactions with DNA Nucleobases: Theoretical Study [Volume 2, Issue 2, 2014, Pages 229-243]
  • Long chain n-alkanes Optimization of Biodegradation of Long Chain n-Alkanes by Rhodococcus sp. Moj-3449 Using Response Surface Methodology [Volume 8, Issue 1, 2020, Pages 45-59]
  • Lorentz-Lorentz equation Theoretical Calculations of Refractive Index of Synthesized One and Two Substituted Derivatives of Functionalized Bithiophene Compounds [Volume 7, Issue 2, 2019, Pages 261-270]
  • Loss tangent Dielectric Properties of Ultra-Low Dielectric Constant PVA-Pentaerythritol/MnO2 Nanocomposite [Volume 10, Issue 3, 2022, Pages 325-331]
  • Low concentration Conductometric Analysis of some Ionic Liquids, 1-Alkyl-3-methylimidazolium Bromide with Aspirin in Acetonitrile Solutions [Volume 4, Issue 3, 2016, Pages 355-368]
  • Low concentration Chemical Model Electrical Conductivity Studies of 1-Butyl-3-methylimidazolium Salicylate as an Active Pharmaceutical Ingredient Ionic Liquid (API-IL) in Aqueous Amino Acids Solutions [Volume 7, Issue 1, 2019, Pages 217-234]
  • Low-cost adsorbents Application of Agricultural Wastes as a Low-cost Adsorbent for Removal of Heavy Metals and Dyes from Wastewater: A Review Study [Volume 9, Issue 2, 2021, Pages 211-226]
  • Low-cost adsorbents Industrial By-Products as Potentially Economic and Promising Adsorbents for Removing Dyes from Effluents: A Review Study [Volume 12, Issue 2, 2024, Pages 361-382]
  • Lowest order constrained method Variational Calculations for the Relativistic Interacting Fermion System at Finite Temperature: Application to Liquid 3He [Volume 5, Issue 1, 2017, Pages 99-112]
  • LSER approach Measurement and Correlation of LLE Data for the Ternary System Water + Phosphoric Acid + 1-Undecanol at 303.2 K [Volume 7, Issue 2, 2019, Pages 425-434]
  • LS-SVM QSAR Study of Arylpyridone Oxime Based on the SVM and Elman Algorithms [Volume 8, Issue 2, 2020, Pages 215-223]
  • Lubricant PVT Properties of Pure Lubricants Using Equations of State and Artificial Intelligence [Volume 7, Issue 1, 2019, Pages 181-200]
  • Lumefantrine Functionalized Banana Stalk for Lumefantrine Drug Removal [Volume 9, Issue 3, 2021, Pages 483-507]
  • Lung cancer Discovery of a Potential Inhibitor Against Lung Cancer: Computational Approaches and Molecular Dynamics Study [Volume 12, Issue 3, 2024, Pages 579-589]
  • LWW model A New Surface Tension Model for Prediction of Interaction Energy between Components and Activity Coefficients in Binary Systems [Volume 6, Issue 2, 2018, Pages 335-363]

M

  • M06-2X Sensitivity of Perfect and Stone-Wales Defective BNNTs Toward NO Molecule: A DFT/M06-2X Approach [Volume 5, Issue 1, 2017, Pages 167-183]
  • M062X etc Quantum Mechanical Study of some Intercalating and Groove Binding Anticancer Drugs with AT and GC Base Pair of DNA Nucleobase [Volume 9, Issue 4, 2021, Pages 673-688]
  • Machine Learning Liquid Membrane-based Extraction of Arsenic: Part 2-Optimization through Statistical and Machine Learning Approach [Volume 12, Issue 2, 2024, Pages 525-547]
  • Maghnite Elimination of Turbidity from a Maghnite Suspension by Coagulation/Flocculation Using a Copolymer Modified from N-vinyl Imidazole [Volume 12, Issue 2, 2024, Pages 467-481]
  • Magnetic adsorbent Adsorption Behaviour of Reactive Black Dye 5 by Magnetically Separable Nano-adsorbent [Volume 7, Issue 3, 2019, Pages 475-490]
  • Magnetic field Calculation of Quasi-one-dimensional Interacting Electron Gas Using the Hartree-Fock Method [Volume 4, Issue 3, 2016, Pages 441-449]
  • Magnetic field Effect of Magnetic Field on the Liquid-liquid Equilibria of (Water + Acetic Acid + Organic Solvent) Ternary Systems [Volume 5, Issue 1, 2017, Pages 125-134]
  • Magnetic field effect Catalytic Behavior of Co/Al2O3 Nanocatalyst under External Magnetic Field [Volume 8, Issue 4, 2020, Pages 645-656]
  • Magnetic layer double hydroxide Response Surface Methodology for Optimizing Adsorption Process Parameters of Amaranth Removal Using Magnetic Layer Double Hydroxide (Fe3O4/ZnFe-LDH) [Volume 7, Issue 1, 2019, Pages 131-148]
  • Magnetic nanocomposite A Kinetic Study on Adsorption of Congo Red from Aqueous Solution by ZnO-ZnFe2O4-polypyrrole Magnetic Nanocomposite [Volume 4, Issue 2, 2016, Pages 291-301]
  • Magnetic nanoparticles Pb(II) Removal from Synthetic Wastewater Using Kombucha Scoby and Graphene Oxide/Fe3O4 [Volume 6, Issue 4, 2018, Pages 759-771]
  • Magnetic nanoparticles Removal of Zn(II) from Aqueous Solutions Using NiFe2O4 Coated Sand as an Efficient and Low Cost Adsorbent: Adsorption Isotherm, Kinetic and Thermodynamic Studies [Volume 6, Issue 4, 2018, Pages 839-855]
  • Magnetic photocatalyst Fabrication of Magnetically Recoverable Nanocomposites by Combination of Fe3O4/ZnO with AgI and Ag2CO3: Substantially Enhanced Photocatalytic Activity under Visible Light [Volume 6, Issue 2, 2018, Pages 415-431]
  • Magnetic property First Principle Study of MC (M= Al, Ga, and In) at Equilibrium and under Negative Stress [Volume 1, Issue 2, 2013, Pages 99-103]
  • Magnetic structure Catalytic Aerobic Oxidation of Alkenes by Ag@Metal Organic Framework with High Catalytic Activity and Selectivity [Volume 7, Issue 3, 2019, Pages 701-713]
  • Magnetic support Influence of a Novel Magnetic Recoverable Support on Kinetic, Stability and Activity of Beta-amylase Enzyme [Volume 4, Issue 2, 2016, Pages 271-283]
  • Magnetic Susceptibility Theoretical study of magnetic susceptibility and optical activity of small molecules containing one chiral center [Volume 2, Issue 1, 2014, Pages 41-52]
  • Magnetorheological property Magnetorheological and Volumetric Properties of Starch and Polyethylene Glycol Solutions in the Presence of NiO Nanoparticles [Volume 6, Issue 1, 2018, Pages 45-66]
  • Malachite Green Spectral, Isotherm, Kinetic, and Thermodynamic Studies of Malachite Green Dye Adsorption from Aqueous Solutions onto Low-cost Treated Kaolin [Volume 12, Issue 1, 2024, Pages 47-60]
  • Many-body interaction energy Cooperative and Diminutive Interplay between Halogen, Hydride and Cation-σ Interactions [Volume 4, Issue 4, 2016, Pages 583-589]
  • Many-body perturbation theory Halogenated Graphdiyne and Graphyne Single Layers: A Systematic Study [Volume 4, Issue 2, 2016, Pages 231-243]
  • MAO-A 3D QSAR, Molecular Docking, and ADMET Studies of a Series of 2-Acetylphenol-Rivastigmine Hybrids against Monoamine Oxidase A Inhibitors [Volume 12, Issue 1, 2024, Pages 249-262]
  • Mars-van Krevelen model Study of HMS Modified ZrO2 Supported Platinum Catalysts for Toluene Removal: Catalytic Combustion and Kinetics Study [Volume 6, Issue 4, 2018, Pages 721-728]
  • Mass spectrometry Design, Construction and Calibration of a Laser Ionization Time-of-Flight Mass Spectrometer [Volume 2, Issue 2, 2014, Pages 202-216]
  • Mass spectrometry Electron Ionization of Serine and Threonine: a Discussion about Peak Intensities [Volume 4, Issue 4, 2016, Pages 539-551]
  • Mathematical computations Solubility and Thermodynamics of Clonazepam in (1-Propanol/2-Propanol) and Water Binary Solvent Mixtures at (293.15 to 313.15) K [Volume 12, Issue 3, 2024, Pages 549-565]
  • Mathematical Modeling Modeling the Thermodynamic Properties of Solutions Containing Polymer and Electrolyte with New Local Composition Model [Volume 5, Issue 3, 2017, Pages 505-518]
  • Mathematical Modeling Photocatalytic Degradation of Ethylbenzene in Aqueous Solutions by ZnFe2O4 Nanoparticles Supported on the Copper Slag: Optimization, Kinetics and Thermodynamics Studies [Volume 9, Issue 3, 2021, Pages 539-552]
  • Mathematical Modelling Liquid Membrane-based Extraction of Arsenic: Part 1 - Experimental Study and Mathematical Modelling [Volume 12, Issue 2, 2024, Pages 483-504]
  • MATLAB Effect of Temperature and Electrode Thickness on the Performance of Dye-Sensitized Solar Cells [Volume 10, Issue 1, 2022, Pages 23-30]
  • Maxwell-Stefan Fick and Maxwell-Stefan Diffusion Coefficients in the Ternary Liquid Mixture of Acetone-Methanol-Chloroform [Volume 9, Issue 4, 2021, Pages 651-659]
  • MCM-41 Influence of Surface Heterogeneities on Complexation of Ethylene with Active Sites of NiMCM-41 Nanocatalyst: A Density Functional Theory Study [Volume 7, Issue 2, 2019, Pages 235-243]
  • MCM-41 Synthesis of CuO/MCM-41 Photocatalyst Nanocomposite, Mechanistic Study and Optimization of Quinoline Oxidative Degradation without Auxiliary Oxidant Using Response Surface Methodology [Volume 8, Issue 1, 2020, Pages 175-202]
  • MDEA Measurement of Thermophysical Properties of Pure and Mixture of Alkanolamines from 288.15-323.15 K [Volume 5, Issue 2, 2017, Pages 269-279]
  • MDMA drug The Electronic Response of Pristine, Si, and Al-doped B12N12 Nanocage to an Ecstasy Drug: A DFT Study [Volume 9, Issue 4, 2021, Pages 623-636]
  • MD simulation COMPUTATIONAL INVESTIGATION OF GENIPOSIDIC ACID AS AN ANTICANCER AGENT USING MOLECULAR DOCKING, MOLECULAR DYNAMIC SIMULATION, DFT CALCULATION, AND OSIRIS-MOLINSPIRATION PROFILING [Volume 11, Issue 4, 2023, Pages 801-823]
  • MD simulation Theoretical and Experimental Investigations for Identification of Anaphylactic Lymphoma Kinase inhibitors [Volume 12, Issue 3, 2024, Pages 591-620]
  • MD Simulations Identification of a Potential Thiazole Inhibitor Against Biofilms by 3D QSAR, Molecular Docking, DFT Analysis, MM-PBSA Binding Energy Calculations, and Molecular Dynamics Simulation [Volume 11, Issue 2, 2023, Pages 369-389]
  • MD Simulations Novel Styrylquinoline Derivatives as Potential Anticancer Agents, In-Silico studies by 3D-QSAR, Molecular Docking, and Molecular Dynamics Simulations [Volume 11, Issue 4, 2023, Pages 953-967]
  • Mean squared displacement Relaxation Processes in a Dimethylimidazolium Chloride-methanol System [Volume 9, Issue 2, 2021, Pages 301-310]
  • Mechanical properties Investigating the Influence of Alkali over Morphology, Functional Groups, and Physical and Mechanical Properties of Fiber obtained from Cordia Dichotoma (Gum Berry) [Volume 12, Issue 2, 2024, Pages 349-359]
  • Mechanism Kinetic Aspects of Tetrahydrobenzo[b]pyran Formation in the Presence of Fructose as a Green Catalyst: a Mechanistic Investigation [Volume 4, Issue 3, 2016, Pages 379-390]
  • Mechanism Thermodynamics and Kinetics of Spiro-Heterocycle Formation Mechanism: Computational Study [Volume 5, Issue 3, 2017, Pages 439-446]
  • Mechanism Kinetics of Vinyl Radical with Chlorine Molecules, A Theoretical Study [Volume 12, Issue 2, 2024, Pages 441-451]
  • Mechanism study Removal of Antibiotic Sulfamethazine from Aqueous Media [Volume 9, Issue 2, 2021, Pages 165-180]
  • Medetomidine Ternary Phase Diagram Modeling of Chiral Medetomidine Salts Using NRTL-SAC Model [Volume 4, Issue 4, 2016, Pages 663-671]
  • Melting mechanism Molecular Dynamics Simulation of the Melting Process in Au15Ag40 Nanoalloys [Volume 5, Issue 2, 2017, Pages 359-366]
  • Melting temperature Measurements and Prediction of Melting Temperature and Eutectic Point of Binary Fatty Acids Based on Wilson Activity Model [Volume 7, Issue 2, 2019, Pages 403-414]
  • Memantine hydrochloride Voltammetric and Spectroscopic Studies of Memantine Hydrochloride and its Transition Metal Complexes [Volume 10, Issue 1, 2022, Pages 13-21]
  • Membrane Calculation of Structural Parameters and Diffusion Coefficient of Sodium Dodecyl Sulfate at Concentrations Lower and Higher Than the Critical Micelle Concentration in the Presence of Amyloid-Beta Peptide [Volume 10, Issue 4, 2022, Pages 571-579]
  • Membrane proteins Triton™ X-100 Behaves Similarly to Tyrosine-Containing and Tryptophan-Free Proteins in UV-Vis Spectroscopy [Volume 9, Issue 2, 2021, Pages 253-260]
  • MEP Interaction of HCN Molecule with the Pristine and Al, S and Al & S Doped Beryllium Oxide Nanotube: A Computational Study [Volume 6, Issue 1, 2018, Pages 31-43]
  • MEP Experimental and Theoretical Studies on a Derivative of Tetrahydro-1H-Benzodiazepine [Volume 6, Issue 3, 2018, Pages 505-519]
  • MEP Synthesis, PASS, In Silico ADMET and Thermodynamic Studies of Some Galactopyranoside Esters [Volume 9, Issue 4, 2021, Pages 591-603]
  • MEP First-Principles Study on Optoelectronic and Photovoltaic Properties in a P3HT/PCBM Complex [Volume 11, Issue 2, 2023, Pages 299-313]
  • MEP A Comparative Study Through DFT Investigation and Molecular Docking Studies of Potential Dietary Phytochemicals Against Cancer Target-DNA Topoisomerase III [Volume 11, Issue 2, 2023, Pages 391-408]
  • Mesitylene Computational Study of Debye Temperature for Liquid Mixtures-Thermal Energy Variations [Volume 8, Issue 1, 2020, Pages 167-173]
  • Mesoporous A Novel Poly(vinyl alcohol) Post-precipitation Template Synthesis and Property Tuning of Photoactive Mesoporous Nano-TiO2 [Volume 8, Issue 2, 2020, Pages 281-295]
  • Mesoporous Structural, Morphological and Physiochemical Analysis of SiC8H20O4/C2H5O/C7H16 Modified Mesoporous Silica Aerogels [Volume 11, Issue 1, 2023, Pages 1-8]
  • Mesoporous Efficient Lead(II) Adsorption onto Mesoporous Silica Aerogels Synthesized via Green Method, Organic Solvents, and Modified Aging [Volume 12, Issue 1, 2024, Pages 1-9]
  • Mesoporous alumina RSM Optimized Adsorption of Eriochrome Black T Dye onto Alumina Nanoprticles: Isotherm and Kinetics Studies [Volume 11, Issue 2, 2023, Pages 315-326]
  • Metal chelators Pharmaceutical Nickel(II) Chelation Properties of 3-Hydroxyflaven, Deferiprone and Maltol Metal Chelators: A Density Functional Study [Volume 8, Issue 1, 2020, Pages 91-110]
  • Metal doped Kinetic, Isotherm, and Thermodynamic Studies of Methylene Blue Adsorption over Metal-doped Zeolite Nano-adsorbent [Volume 9, Issue 1, 2021, Pages 17-30]
  • Metal interaction Nature of Lithium Interactions with DNA Nucleobases: Theoretical Study [Volume 2, Issue 2, 2014, Pages 229-243]
  • Metal ion In Silico Study of the Effect of Porphyrin-Based Ligands on the Structure of G-Quadruplex in the Presence of Different Ions [Volume 11, Issue 4, 2023, Pages 695-705]
  • Metal ionic liquid Metal-Containing Ionic Liquids: Anion and Cation Contribution on Thermo-Physical Parameters [Volume 12, Issue 1, 2024, Pages 175-187]
  • Metallic nanowire The Thermodynamic Properties of Polarized Metallic Nanowire in the Presence of Magnetic Field [Volume 1, Issue 1, 2013, Pages 34-40]
  • Metal-metal multiple bond Geometric and Electronic Structures of Vanadium Sub-nano Clusters, Vn (n = 2-5), and their Adsorption Complexes with CO and O2 Ligands: A DFT-NBO Study [Volume 5, Issue 3, 2017, Pages 601-615]
  • Metal organic frame-work Catalytic Aerobic Oxidation of Alkenes by Ag@Metal Organic Framework with High Catalytic Activity and Selectivity [Volume 7, Issue 3, 2019, Pages 701-713]
  • Metal-Salen complex Study the Interaction of Ni Complex of Tetradentate Schiff Base Ligand with HEN Egg White Lysozyme [Volume 5, Issue 1, 2017, Pages 113-123]
  • Methane Catalytic Decomposition of Methane and Ethylene into the Carbon and Hydrogen [Volume 3, Issue 1, 2015, Pages 46-57]
  • Methane Kinetic Model Study of Dry Reforming of Methane Using Cold Plasma [Volume 5, Issue 2, 2017, Pages 395-408]
  • Methanol Molecular Interactions of MeOH and EtOH with Black Phosphorus Monolayer: A Periodic Density Functional Study [Volume 7, Issue 2, 2019, Pages 435-447]
  • Methanol Relaxation Processes in a Dimethylimidazolium Chloride-methanol System [Volume 9, Issue 2, 2021, Pages 301-310]
  • Methanol Study of Phase Equilibria for the n-Butane + Methanol System from 323.22 K to 423.09 K [Volume 11, Issue 1, 2023, Pages 103-116]
  • Methylamine Computational Study of the Mechanism, Reaction Rate and Thermochemistry of Atmospheric Oxidation of Methylamine with Singlet Oxygen [Volume 4, Issue 2, 2016, Pages 191-208]
  • Methyl blue Spherical α Fe2O3 Nanoparticles: Synthesis and Characterization and Its Photocatalytic Degradation of Methyl Orange and Methylene Blue [Volume 10, Issue 4, 2022, Pages 473-483]
  • Methylene blue Molecular Development of Silver Nanoparticles-loaded Poly Acrylic Acid Hydrogel as a Catalyst for Dye Degradation [Volume 6, Issue 4, 2018, Pages 857-869]
  • Methylene blue Preparation of Phosphorus Doped Graphitic Carbon Nitride Using a Simple Method and Its Application for Removing Methylene Blue [Volume 8, Issue 1, 2020, Pages 31-44]
  • Methylene blue The Perlite-calcium Alginate-activated Carbon Composite as an Efficient Adsorbent for the Removal of Dyes from Aqueous Solutions [Volume 9, Issue 1, 2021, Pages 1-16]
  • Methylene blue Insights into the Electronic Properties of Coumarins: A Comparative Study Synthesis and Characterization of Fe2O3/Mn2O3 Magnetic Nanocomposites for the Photocatalytic Degradation of Methylene Blue [Volume 11, Issue 2, 2023, Pages 437-447]
  • Methylene blue The Effect of Sr-Doping on Structural, Optical, Catalytic, and Photocatalytic Properties of α-MnO2 Nanowires Synthesized via a Hydrothermal Route [Volume 11, Issue 3, 2023, Pages 559-574]
  • Methylene blue Sustainable and Low-cost Hydroxyapatite/Starch for the Removal of Methylene Blue from Aqueous Solutions [Volume 12, Issue 1, 2024, Pages 73-84]
  • Methyl ester Evaluation of Methyl Ester Production Using Cement as a Heterogeneous Catalyst [Volume 6, Issue 2, 2018, Pages 323-333]
  • Methyl group transfer Theoretical Study on the Chemical Reactivity in the Armchair Single-walled Carbon Nanotube: Proton and Methyl Group Transfer [Volume 5, Issue 2, 2017, Pages 239-251]
  • Methyl Orange Removal of Methyl Orange from Aqueous Solutions by Ferromagnetic Fe/Ni Nanoparticles [Volume 6, Issue 2, 2018, Pages 433-446]
  • Methyl Orange Molecular Development of Silver Nanoparticles-loaded Poly Acrylic Acid Hydrogel as a Catalyst for Dye Degradation [Volume 6, Issue 4, 2018, Pages 857-869]
  • Methyl Orange The Perlite-calcium Alginate-activated Carbon Composite as an Efficient Adsorbent for the Removal of Dyes from Aqueous Solutions [Volume 9, Issue 1, 2021, Pages 1-16]
  • Methyl Orange Spherical α Fe2O3 Nanoparticles: Synthesis and Characterization and Its Photocatalytic Degradation of Methyl Orange and Methylene Blue [Volume 10, Issue 4, 2022, Pages 473-483]
  • Methyl phenol Study of Molecular Interactions of Fossil Fuels through Acoustic and Volumetric Data [Volume 11, Issue 1, 2023, Pages 129-137]
  • Methyl Tert-Butyl Ether Experimental and Modeling of Densities and Viscosities of Binary Mixtures Containing MTBE/Alkan-2-ol [Volume 7, Issue 2, 2019, Pages 365-374]
  • Methyl α-d-galactopyranoside esters Synthesis, PASS, In Silico ADMET and Thermodynamic Studies of Some Galactopyranoside Esters [Volume 9, Issue 4, 2021, Pages 591-603]
  • Mg12O12 nanocage Adsorption of F-, Cl-, Li+ and Na+ on the Exterior Surface of Mg12O12 Nanocage in the Gas Phase and Water Media: A DFT Study [Volume 4, Issue 4, 2016, Pages 591-605]
  • MgAl-LDH ZnO-MgFe2O4/(Mg)- or (Zn)-Al-LDH Composites: Adsorption Efficiency, Kinetics, and Adsorption Isotherm for Congo Red Removal [Volume 9, Issue 2, 2021, Pages 311-325]
  • Mg-doped ZnO Sonochemical Green Method for Preparation of Mg-Doped ZnO Nanostructures in Water with Enhanced Photocatalytic Activity [Volume 3, Issue 2, 2015, Pages 99-110]
  • MgO nanoclusters Size Evolution Study of the Electronic and Magnetic Properties of MgO Nanoclusters [Volume 3, Issue 2, 2015, Pages 89-98]
  • Micelle Influence of Nanoscopic Micellar Confinements and Rotational Dynamics of Anticancer Drug Doxorubicin [Volume 11, Issue 3, 2023, Pages 471-479]
  • Micellization Conductometric Study of the Thermodynamics of Micellization of Sodium dodecylsulfate (SDS) in the Presence of Some Aromatic Ammonium Salts [Volume 5, Issue 3, 2017, Pages 531-540]
  • Microemulsion Quantum dots of CdS synthesized by micro-emulsion under ultrasound: size distribution and growth kinetics [Volume 1, Issue 2, 2013, Pages 166-174]
  • Micro pore New Activated Carbon from Persian Mesquite Grain as an Excellent Adsorbent [Volume 5, Issue 1, 2017, Pages 81-98]
  • Microscopic constant Surfactant Effects on Tautomeric and Microscopic Equilibria of Tryptophan: Experimental and Theoretical Studies [Volume 5, Issue 1, 2017, Pages 25-39]
  • Microsolvation Microsolvation of NO2+ in Helium: An Ab Initio Study on NO2+-Hen Clusters (n ≤ 7) [Volume 4, Issue 1, 2016, Pages 109-117]
  • Microwave Elimination of Turbidity from a Maghnite Suspension by Coagulation/Flocculation Using a Copolymer Modified from N-vinyl Imidazole [Volume 12, Issue 2, 2024, Pages 467-481]
  • Mild steel 817M40T Mild Steel Corrosion Remediation in 0.5 M Hydrochloric Acidic Environment Using Alkaloid and Flavonoid Extracts of Salvia Officinalis [Volume 12, Issue 1, 2024, Pages 121-133]
  • Mild steel The Effect of Alyssum Floribundum Boiss. & Balansa (Brassicaceae) Leaves Extract on the Corrosion of Mild Steel in an Acidic Medium [Volume 12, Issue 2, 2024, Pages 321-332]
  • Mild steel Inhibiting Performance of Rivaroxaban Against Corrosion of Mild Steel in 1.0 M HCl Solution [Volume 12, Issue 2, 2024, Pages 515-524]
  • Minimum inhibition concentration Antimicrobial Investigation of CuO and ZnO Nanoparticles Prepared by a Rapid Combustion Method [Volume 7, Issue 4, 2019, Pages 799-812]
  • Minimum miscibility pressure Minimum Miscibility Pressure Using the Multiple Mixing-cell Combined with the PC-SAFT Equation of State [Volume 7, Issue 1, 2019, Pages 111-130]
  • Minnesota functionals Interconversions among the E⇆Z-Carotene Isomers: Theoretical Study [Volume 9, Issue 1, 2021, Pages 69-83]
  • Miscibility Solubility Parameter of Fluids from Molecular Thermodynamic Model [Volume 6, Issue 2, 2018, Pages 295-307]
  • Missense variants In Silico Analysis Predicting the Structural and Functional Effects of High-risk nsSNPs in the Human GCK Gene Associated with Gestational Diabetes [Volume 11, Issue 3, 2023, Pages 653-673]
  • Mixed convection Combined Effects of Inclination Angle and Imposed Flow on Mixed Convective Cooling Inside a Vented Cavity Crossed by Nanofluids [Volume 11, Issue 3, 2023, Pages 631-642]
  • MLR Quantitative Structure-activity Relationship Studies and Nonlinear Optical Properties of 2-Phenylbenzofuran Derivatives: A Density Functional Theory Study [Volume 10, Issue 1, 2022, Pages 105-125]
  • MLR potential Empirical Potential Energy Curve for the Ground State of CaH from a Multi-isotopologue Direct Potential Fit Analysis [Volume 5, Issue 4, 2017, Pages 643-658]
  • MMGBA Molecular Analysis of Potential Inhibitors Against SARS-CoV-2: Computational Approach [Volume 11, Issue 4, 2023, Pages 725-734]
  • MMGBSA Theoretical and Experimental Investigations for Identification of Anaphylactic Lymphoma Kinase inhibitors [Volume 12, Issue 3, 2024, Pages 591-620]
  • MMP Substituent Effects on the Structural and Nonlinear Optical Properties of 1-[4-({(E)-[4-(methylsulfanyl)phenyl]methylidene}amino)phenyl]ethanone and Some of its Substituted Derivatives- a Theoretical Method [Volume 6, Issue 3, 2018, Pages 667-683]
  • Mn3O4 nanoparticles Preparation, Characterization and Antibacterial Activity of Manganese Oxide Nanoparticles [Volume 3, Issue 3, 2015, Pages 197-204]
  • Mn(II) removal Removal of Manganese(II) from Aqueous Solution by Chemically Activated Thuja Occidentalis Leaves Carbon (CATLC) as an Adsorbent: Adsorption Equilibrium and Kinetic Studies [Volume 7, Issue 1, 2019, Pages 11-26]
  • MnMoP/γ-Al2O3 catalyst Synthesis MnMoP/γ-Al2O3 Oxidative Desulfurization Catalyst and Optimized the Operating Conditions of the Catalytic ODS Method of Condensate [Volume 11, Issue 1, 2023, Pages 49-61]
  • MnO2 nanorod Dielectric Properties of Ultra-Low Dielectric Constant PVA-Pentaerythritol/MnO2 Nanocomposite [Volume 10, Issue 3, 2022, Pages 325-331]
  • Mobility Calculation of Structural Parameters and Diffusion Coefficient of Sodium Dodecyl Sulfate at Concentrations Lower and Higher Than the Critical Micelle Concentration in the Presence of Amyloid-Beta Peptide [Volume 10, Issue 4, 2022, Pages 571-579]
  • Mode coupling theory Diffusive Dynamicsof Binary Lennard-Jones Liquid in the Presence of Gold Nanoparticle: A Mode Coupling Theory Analysis [Volume 1, Issue 1, 2013, Pages 61-68]
  • Modeling Volumetric Properties of Nanofluids by a Perturbed Hard-sphere Chain Equation of State [Volume 11, Issue 4, 2023, Pages 735-745]
  • Model validation Quantitative Structure Activity Relationship Analysis of Coumarins as Free Radical Scavengers by Genetic Function Algorithm [Volume 6, Issue 1, 2018, Pages 209-223]
  • Modified weighted density Theoretical Study of Polyethylene Crystallization Using Modified Weighted Density Approximation (MWDA) [Volume 4, Issue 2, 2016, Pages 209-219]
  • MOFs Understanding Hydrogen Adsorption in MIL-47-M (M = V and Fe) through Density Functional Theory [Volume 4, Issue 4, 2016, Pages 607-617]
  • Molar conductivity Volumetric, Acoustic and Conductometric Studies of Acetaminophen in Aqueous Ionic Liquid, 1-Octyl-3-methylimidazolium Bromide at T = 293.15-308.15 K [Volume 4, Issue 1, 2016, Pages 119-141]
  • Molar conductivity Conductometric Analysis of some Ionic Liquids, 1-Alkyl-3-methylimidazolium Bromide with Aspirin in Acetonitrile Solutions [Volume 4, Issue 3, 2016, Pages 355-368]
  • Molar conductivity Thermodynamic Study of L-alanine in Aqueous Solutions of 1-Hexyl-3-Methylimidazolium Ibuprofenate as an Active Pharmaceutical Ingredient Ionic Liquid (API-IL) [Volume 7, Issue 1, 2019, Pages 149-166]
  • Molar conductivity Electrical Conductivity Studies of 1-Butyl-3-methylimidazolium Salicylate as an Active Pharmaceutical Ingredient Ionic Liquid (API-IL) in Aqueous Amino Acids Solutions [Volume 7, Issue 1, 2019, Pages 217-234]
  • Molar volume A Study of Some Excess Thermodynamic Properties in Binary Mixtures of Non-Aqueous Solvents at Variable Temperatures [Volume 10, Issue 3, 2022, Pages 439-453]
  • Molecular adsorption A DFT Study of Hydrogen Adsorption on Metallic Platinum: Associative or Dissociative Adsorption [Volume 11, Issue 3, 2023, Pages 527-536]
  • Molecular catalyst Computational Study on Reduction Potential of [CoP4N2(OH2)2]2+ as a Super-Efficient Catalyst in Electrochemical Hydrogen Evolution [Volume 4, Issue 4, 2016, Pages 531-538]
  • Molecular docking Putative Binding Sites of Dopamine and Arachidonoyl Dopamine to Beta-lactoglobulin: A Molecular Docking and Molecular Dynamics Study [Volume 5, Issue 2, 2017, Pages 205-219]
  • Molecular docking Spectroscopic, Thermodynamic and Molecular Docking Studies on Interaction of Toxic Azo Dye with Bovine Serum Albumin [Volume 5, Issue 3, 2017, Pages 541-554]
  • Molecular docking Molecular Docking Based on Virtual Screening, Molecular Dynamics and Atoms in Molecules Studies to Identify the Potential Human Epidermal Receptor 2 Intracellular Domain Inhibitors [Volume 6, Issue 1, 2018, Pages 83-103]
  • Molecular docking Exploring the Interaction Mechanism of Coumarin with Bovine β-Casein: Spectrofluorometric and Molecular Modeling Studies [Volume 6, Issue 3, 2018, Pages 627-638]
  • Molecular docking Molecular Docking-based Virtual Screening, Molecular Dynamics and Atoms in Molecules (AIM) Studies to Identify Potential Inhibitor against the Extracellular Region of Human Epidermal Receptor 2 [Volume 8, Issue 1, 2020, Pages 61-90]
  • Molecular docking Quantum Chemical and Molecular Docking Studies of Imidazole and Its Derivatives as the Active Antifungal Components against C. Albicans [Volume 8, Issue 3, 2020, Pages 457-469]
  • Molecular docking Pharmacokinetics and Molecular Docking Studies of Uridine Derivatives as SARS-COV-2 Mpro Inhibitors [Volume 9, Issue 3, 2021, Pages 385-412]
  • Molecular docking Docking and 2D-Structure-activity Relationship and ADMET Studies of Acetylcholinesterase Inhibitors [Volume 10, Issue 1, 2022, Pages 31-44]
  • Molecular docking Modified D-Glucofuranoses as New Black Fungus Protease Inhibitors: Computational Screening, Docking, Dynamics, and QSAR Study [Volume 10, Issue 2, 2022, Pages 195-209]
  • Molecular docking Combined 3D-QSAR and Molecular Docking Analysis of Styrylquinoline Derivatives as Potent anti-cancer Agents [Volume 10, Issue 3, 2022, Pages 345-362]
  • Molecular docking Modified Thymidine Derivatives as Potential Inhibitors of SARS-CoV: PASS, In Vitro Antimicrobial, Physicochemical and Molecular Docking Studies [Volume 10, Issue 3, 2022, Pages 391-409]
  • Molecular docking In Silico Prediction of Novel (TRIM24) Bromodomain Inhibitors: A Combination of 3D-QSAR, Molecular Docking, ADMET Prediction, and Molecular Dynamics Simulation [Volume 10, Issue 4, 2022, Pages 519-535]
  • Molecular docking In-Silico Molecular Docking, Validation, Drug-Likeness, and ADMET Studies of Antiandrogens to Use in the Fight against SARS-CoV-2 [Volume 11, Issue 1, 2023, Pages 9-21]
  • Molecular docking Prediction of Novel TRPV1 Antagonist: A Combination of 3D-QSAR, Molecular Docking, MD Simulations and ADMET Prediction [Volume 11, Issue 2, 2023, Pages 353-368]
  • Molecular docking A Comparative Study Through DFT Investigation and Molecular Docking Studies of Potential Dietary Phytochemicals Against Cancer Target-DNA Topoisomerase III [Volume 11, Issue 2, 2023, Pages 391-408]
  • Molecular docking Discovery of New Inhibitors of Enoyl-ACP Reductase via Structure-Based Virtual Screening [Volume 11, Issue 3, 2023, Pages 459-469]
  • Molecular docking In Silico Approach for Designing Novel SARS-CoV-2 Inhibitors from Medicinal Plants [Volume 11, Issue 3, 2023, Pages 589-604]
  • Molecular docking Towards Screening and Repurposing of Approved Drugs for the Treatment of COVID-19 Using Molecular Docking [Volume 11, Issue 4, 2023, Pages 707-723]
  • Molecular docking COMPUTATIONAL INVESTIGATION OF GENIPOSIDIC ACID AS AN ANTICANCER AGENT USING MOLECULAR DOCKING, MOLECULAR DYNAMIC SIMULATION, DFT CALCULATION, AND OSIRIS-MOLINSPIRATION PROFILING [Volume 11, Issue 4, 2023, Pages 801-823]
  • Molecular docking Novel Styrylquinoline Derivatives as Potential Anticancer Agents, In-Silico studies by 3D-QSAR, Molecular Docking, and Molecular Dynamics Simulations [Volume 11, Issue 4, 2023, Pages 953-967]
  • Molecular docking Spectroscopic, Structural and Molecular Docking Studies on N,N-Dimethyl-2-[6-methyl-2-(4-methylphenyl) Imidazo[1,2-a]pyridin-3-yl] Acetamide [Volume 12, Issue 1, 2024, Pages 95-107]
  • Molecular docking 3D QSAR, Molecular Docking, and ADMET Studies of a Series of 2-Acetylphenol-Rivastigmine Hybrids against Monoamine Oxidase A Inhibitors [Volume 12, Issue 1, 2024, Pages 249-262]
  • Molecular docking Discovery of Eugenol-derived Drug Candidates for the Treatment of COVID-19 by Applying Molecular Docking, Molecular Dynamics, and Pharmacokinetic Analysis [Volume 12, Issue 2, 2024, Pages 289-303]
  • Molecular docking In Silico Studies on the Molecular Geometry, FMO, Mulliken Charges, MESP, ADME and Molecular Docking Prediction of Pyrogallol Carboxaldehydes as Potential Anti-tumour Agents [Volume 12, Issue 2, 2024, Pages 305-320]
  • Molecular docking Computational Investigation of Polo-like Kinase 1 (plk1): Inhibitive Potential of Benzimidazole-Carbonamide Derivatives for Cancer Treatment [Volume 12, Issue 2, 2024, Pages 333-348]
  • Molecular dynamic Molecular Dynamics Simulation of Crocin and Dimethylcrocetin Interactions with DNA [Volume 6, Issue 4, 2018, Pages 825-838]
  • Molecular dynamic Ortho-phenylenediamine Based Bis-ureas as the Ion Selective Sensors; A QM/MD Study [Volume 7, Issue 4, 2019, Pages 785-797]
  • Molecular dynamic Discovery of Eugenol-derived Drug Candidates for the Treatment of COVID-19 by Applying Molecular Docking, Molecular Dynamics, and Pharmacokinetic Analysis [Volume 12, Issue 2, 2024, Pages 289-303]
  • Molecular Dynamics Molecular Docking Based on Virtual Screening, Molecular Dynamics and Atoms in Molecules Studies to Identify the Potential Human Epidermal Receptor 2 Intracellular Domain Inhibitors [Volume 6, Issue 1, 2018, Pages 83-103]
  • Molecular Dynamics QSAR, Docking and Molecular Dynamics Studies on the Piperidone-grafted Mono- and Bis-spiro-oxindole-hexahydropyrrolizines as Potent Butyrylcholinesterase Inhibitors [Volume 6, Issue 4, 2018, Pages 685-711]
  • Molecular Dynamics Tacrine-Flavonoid Quercetin Hybride as a MTDL Ligand against Alzheimer’s Disease with Metal Chelating and AChE, BChE, AChE-induced Aβ Aggregation Inhibition Properties: A Computational Study [Volume 7, Issue 3, 2019, Pages 561-579]
  • Molecular Dynamics Molecular Docking-based Virtual Screening, Molecular Dynamics and Atoms in Molecules (AIM) Studies to Identify Potential Inhibitor against the Extracellular Region of Human Epidermal Receptor 2 [Volume 8, Issue 1, 2020, Pages 61-90]
  • Molecular Dynamics Modified D-Glucofuranoses as New Black Fungus Protease Inhibitors: Computational Screening, Docking, Dynamics, and QSAR Study [Volume 10, Issue 2, 2022, Pages 195-209]
  • Molecular Dynamics In Silico Prediction of Novel (TRIM24) Bromodomain Inhibitors: A Combination of 3D-QSAR, Molecular Docking, ADMET Prediction, and Molecular Dynamics Simulation [Volume 10, Issue 4, 2022, Pages 519-535]
  • Molecular Dynamics In Silico Approach for Designing Novel SARS-CoV-2 Inhibitors from Medicinal Plants [Volume 11, Issue 3, 2023, Pages 589-604]
  • Molecular Dynamics Discovery of a Potential Inhibitor Against Lung Cancer: Computational Approaches and Molecular Dynamics Study [Volume 12, Issue 3, 2024, Pages 579-589]
  • Molecular Dynamic Simulation Prediction of Novel TRPV1 Antagonist: A Combination of 3D-QSAR, Molecular Docking, MD Simulations and ADMET Prediction [Volume 11, Issue 2, 2023, Pages 353-368]
  • Molecular Dynamics Simulation Diffusive Dynamicsof Binary Lennard-Jones Liquid in the Presence of Gold Nanoparticle: A Mode Coupling Theory Analysis [Volume 1, Issue 1, 2013, Pages 61-68]
  • Molecular Dynamics Simulation Molecular Interaction of Benzalkonium Ibuprofenate and its Discrete Ingredients with Human Serum Albumin [Volume 1, Issue 2, 2013, Pages 111-116]
  • Molecular Dynamics Simulation How Do Palladium Complexes Affect on Coil Structure of Human Serum Albumin in the Presence of Carbon Nanotube? A Molecular Dynamics Study [Volume 4, Issue 1, 2016, Pages 47-60]
  • Molecular Dynamics Simulation Putative Binding Sites of Dopamine and Arachidonoyl Dopamine to Beta-lactoglobulin: A Molecular Docking and Molecular Dynamics Study [Volume 5, Issue 2, 2017, Pages 205-219]
  • Molecular Dynamics Simulation Molecular Dynamics Simulation of Al/NiO Thermite Reaction Using Reactive Force Field (ReaxFF) [Volume 5, Issue 2, 2017, Pages 221-237]
  • Molecular Dynamics Simulation Molecular Dynamics Simulation of the Melting Process in Au15Ag40 Nanoalloys [Volume 5, Issue 2, 2017, Pages 359-366]
  • Molecular Dynamics Simulation Exploring the Interaction Mechanism of Coumarin with Bovine β-Casein: Spectrofluorometric and Molecular Modeling Studies [Volume 6, Issue 3, 2018, Pages 627-638]
  • Molecular Dynamics Simulation Probing the Binding of Valacyclovir Hydrochloride to the Human Serum Albumin [Volume 7, Issue 4, 2019, Pages 751-764]
  • Molecular Dynamics Simulation Molecular Insight into the Mutual Interactions of Two Transmembrane Domains of Human Glycine Receptor (TM23-GlyR), with the Lipid Bilayers [Volume 8, Issue 3, 2020, Pages 373-397]
  • Molecular Dynamics Simulation Functionalized Single-atom Thickness Boron Nitride Membrane for Separation of Arsenite Ion from Water: A Molecular Dynamics Simulation Study [Volume 8, Issue 3, 2020, Pages 543-556]
  • Molecular Dynamics Simulation Insights into Platinum Complex-HSA Bindings: Spectral and Molecular Dynamics Simulation Studies [Volume 9, Issue 3, 2021, Pages 427-446]
  • Molecular Dynamics Simulation Molecular Dynamics Simulation of Phosphorus Trichloride (PCl3) and Phosphorus Triiodide (PI3) Liquids by Using the Force-fields Derived from a Quantum Chemical Approach [Volume 9, Issue 3, 2021, Pages 509-523]
  • Molecular Dynamics Simulation Adsorption of an Azo Dye on Graphene Nanosheet: A Molecular Dynamics Simulation Study [Volume 11, Issue 1, 2023, Pages 117-127]
  • Molecular dynamics simulations Molecular Dynamics Simulation and Free Energy Studies on the Interaction of Salicylic Acid with Human Serum Albumin (HSA) [Volume 5, Issue 3, 2017, Pages 483-496]
  • Molecular electronegativity distance vector QSAR Study of Arylpyridone Oxime Based on the SVM and Elman Algorithms [Volume 8, Issue 2, 2020, Pages 215-223]
  • Molecular electrostatic potential Ab Initio Studies on the Interplay between Unconventional B•••X Halogen Bond and Lithium/Hydrogen/Halogen Bond in HB(CO)2•••XCN•••YF (X = Cl, Br; Y = Li, H, Cl) Complexes [Volume 5, Issue 4, 2017, Pages 771-781]
  • Molecular first hyperpolarizability Substituent Effects on the Structural and Nonlinear Optical Properties of 1-[4-({(E)-[4-(methylsulfanyl)phenyl]methylidene}amino)phenyl]ethanone and Some of its Substituted Derivatives- a Theoretical Method [Volume 6, Issue 3, 2018, Pages 667-683]
  • Molecular mechanics-generalized born surface area Molecular Dynamics Simulation and Free Energy Studies on the Interaction of Salicylic Acid with Human Serum Albumin (HSA) [Volume 5, Issue 3, 2017, Pages 483-496]
  • Molecular Modeling Spectroscopic, Docking and Molecular Dynamics Simulation Studies on the Interaction of Etofylline and Human Serum Albumin [Volume 7, Issue 3, 2019, Pages 681-699]
  • Molecular Modeling Benzimidazole Derivatives in Identifying Novel Acetylcholinesterase Inhibitors: A Combination of 3D-QSAR, Docking and Molecular Dynamics Simulation [Volume 10, Issue 2, 2022, Pages 237-249]
  • Molecular Modeling Study on the Molecular Interaction of Anthocyanin-rich Eggplant Extracts with Bovine α-Lactalbumin [Volume 10, Issue 4, 2022, Pages 485-494]
  • Molecular Modeling Structural Insight into 2-Aryl-4-Quinoline Carboxylic Acid-Based Dihydroorotate Dehydrogenase (DHODH) and its Potential Anti-SARS-CoV-2 Activity Through Pharmacophore Modeling, Multidimensional QSAR, ADME, and Docking Studies [Volume 11, Issue 4, 2023, Pages 783-800]
  • Molecular orbitals Insights into the Electronic Properties of Coumarins: A Comparative Study [Volume 11, Issue 2, 2023, Pages 267-286]
  • Molecular oxygen Selective Oxidation of Alkenes by Dioxygen Using Modified Gold Nanoclusters [Volume 8, Issue 3, 2020, Pages 557-568]
  • Molecular Simulation Dual-Target Anticancer Drug Candidates: Rational Design and Simulation Studies [Volume 3, Issue 2, 2015, Pages 125-143]
  • Molecular structure Molecular Structure, Linear, and Nonlinear Optical Properties of Piperazine-1,4-Diium Bis 2,4,6-Trinitrophenolate: A Theoretical Investigation [Volume 11, Issue 1, 2023, Pages 33-48]
  • Molecular thermodynamics A Molecular-Based Equation of State for Vapour-liquid Equilibrium of Pure Substances [Volume 7, Issue 1, 2019, Pages 95-109]
  • Mollusk skin biosorbent Solamen Vaillanti Mollusk Powder as an Efficient Biosorbent for Removing Cobalt Ions from Aqueous Solution: Kinetic and Equilibrium Studies [Volume 11, Issue 1, 2023, Pages 159-169]
  • Monolayer capacity The Modification of the BET Surface Area by Considering the Excluded Area of Adsorbed Molecules [Volume 10, Issue 2, 2022, Pages 173-177]
  • Monosaccharide Nano Particle CORONA Formation; Rather than Proteins [Volume 7, Issue 4, 2019, Pages 849-857]
  • Monte Carlo Kinetic Monte Carlo Simulation of Oxalic Acid Ozonationover Lanthanum-based Perovskitesas Catalysts [Volume 5, Issue 1, 2017, Pages 1-11]
  • Montmorillonite Construction of ZnS/montmorillonite/graphitic Carbon Nitride as Adsorbent and Photocatalyst for the Removal of Rhodamine B [Volume 12, Issue 2, 2024, Pages 273-287]
  • MoS2 Structural, Morphological, and Optical Studies of ZnS-MoS2 Nanocomposite via Hydrothermal Route [Volume 10, Issue 2, 2022, Pages 293-300]
  • MP4 Effect of Polarity on the Interaction Energies of some Organic Solvent (OS)-Water System and Formation of Donor-acceptor Complex: Quantum Mechanical MP4 Study [Volume 10, Issue 1, 2022, Pages 127-141]
  • MPP Size Evolution Study of the Electronic and Magnetic Properties of MgO Nanoclusters [Volume 3, Issue 2, 2015, Pages 89-98]
  • Mpro In Silico Approach for Designing Novel SARS-CoV-2 Inhibitors from Medicinal Plants [Volume 11, Issue 3, 2023, Pages 589-604]
  • MPTMS Highly Enhanced Pb(II) Removal By Mercaptopropyl Trimethoxysilane (MPTMS) Surface-Modified Silica Aerogel: Synthesis, Characterization and Isotherm Studies [Volume 12, Issue 1, 2024, Pages 219-227]
  • Multilayer Perceptron Prediction of Fe-Co-Mn/MgO Catalytic Activity in Fischer-Tropsch Synthesis Using Nu-support Vector Regression [Volume 4, Issue 3, 2016, Pages 391-405]
  • Multiple histogram method Molecular Dynamics Simulation of the Melting Process in Au15Ag40 Nanoalloys [Volume 5, Issue 2, 2017, Pages 359-366]
  • Multiple linear regression QSAR Study of New Compounds Based on 1,2,4-Triazole as Potential Anticancer Agents [Volume 8, Issue 1, 2020, Pages 125-137]
  • Multivariate image analysis-QSAR (MIA-QSAR) Docking and 2D-Structure-activity Relationship and ADMET Studies of Acetylcholinesterase Inhibitors [Volume 10, Issue 1, 2022, Pages 31-44]

N

  • N Study of Volumetric Properties of N,N-Dimethyl Acetamide and 1-Alkanols Binary Mixtures at 298.15 K [Volume 4, Issue 2, 2016, Pages 183-189]
  • N Elaboration and Characterization of Organo-Ghassoul (Moroccan Clay) as an Adsorbent Using Cationic Surfactant for Anionic Dye Adsorption [Volume 11, Issue 4, 2023, Pages 913-928]
  • N4B4 cluster Spontaneous Adsorption, and Selective Sensing of CO, and CO2 Greenhouse Gaseous Species by the more Stable Forms of N4B4 Clusters [Volume 6, Issue 2, 2018, Pages 377-385]
  • NaCl Thermodynamic Study of the Ternary Electrolyte (1-Butyl-3-methylimidazolium chloride + sodium chloride + Water) System Using Potentiometric Measurements [Volume 3, Issue 2, 2015, Pages 145-154]
  • NaCl Determination and Modeling of Activity Coefficients of Sodium Chloride in (Glycerol + Water) Mixtures Based on Potentiometric Measurements [Volume 3, Issue 4, 2015, Pages 305-318]
  • N- and GaN-doped The Interaction of HCN Gas on the Surface of Pristine, Ga, N and GaN-Doped (4,4) Armchair Models of BPNTs: A Computational Approach [Volume 3, Issue 4, 2015, Pages 265-277]
  • Nano-adsorbent Adsorption of Acid Dyes on Modified Mesoporous SBA-15: Comparison of Two Dyes [Volume 6, Issue 3, 2018, Pages 565-581]
  • Nano-adsorbent Kinetic, Isotherm, and Thermodynamic Studies of Methylene Blue Adsorption over Metal-doped Zeolite Nano-adsorbent [Volume 9, Issue 1, 2021, Pages 17-30]
  • Nanoalloys Molecular Dynamics Simulation of the Melting Process in Au15Ag40 Nanoalloys [Volume 5, Issue 2, 2017, Pages 359-366]
  • Nano carbon (CN) Physical Study of PVA Filled with Carbon Nanotube and Nano Carbon with Roughness Morphology [Volume 11, Issue 4, 2023, Pages 747-760]
  • Nano-catalyst Preparation of Iron-cobalt-cerium Heterogeneous Nano-catalysts to Produce Light Hydrocarbons from Synthesis Gas [Volume 6, Issue 4, 2018, Pages 785-794]
  • Nanocluster Investigation of Structural and Optoelectronic Properties of Sc2O3 Nanoclusters: A DFT Study [Volume 6, Issue 3, 2018, Pages 493-504]
  • Nanocomposite Sono-synthesis of Novel Magnetic Nanocomposite (Ba-α-Bi2O3-γ-Fe2O3) for the Solar Mineralization of Amoxicillin in an Aqueous Solution [Volume 5, Issue 2, 2017, Pages 253-268]
  • Nanocomposite Non-cross-linked Amphiphilic Copolymer Coated Palladium Nanoparticles: A Highly Efficient and Reusable Catalyst for Aerobic Oxidation of Alcohols [Volume 7, Issue 4, 2019, Pages 823-835]
  • Nanocomposite Pulsed Plasma-Chemical Synthesis of CuxOy-TiO2 Nanocomposite [Volume 11, Issue 2, 2023, Pages 425-436]
  • Nanocomposites Graphitic Carbon Nitride/Reduced Graphene Oxide/Silver Oxide Nanostructures with Enhanced Photocatalytic Activity in Visible Light [Volume 6, Issue 4, 2018, Pages 729-740]
  • Nanocomposites Interfacial Synthesis of Polyaniline-(Ag-Au) Alloy Nanocomposite [Volume 10, Issue 2, 2022, Pages 273-281]
  • Nanocomposites Insights into the Electronic Properties of Coumarins: A Comparative Study Synthesis and Characterization of Fe2O3/Mn2O3 Magnetic Nanocomposites for the Photocatalytic Degradation of Methylene Blue [Volume 11, Issue 2, 2023, Pages 437-447]
  • Nanodiopside Optimization of Adsorption Process Parameters of Allura Red Removal Using Nanodiopside/Zn-Fe Layered Double Hydroxide Composite by Response Surface Methodology: A Kinetic, Thermodynamic, and Equilibrium Approach [Volume 11, Issue 1, 2023, Pages 63-78]
  • Nano electronic Rectification Ratio Enhancement and Functionalized Pyrene: DFT+NEGF [Volume 6, Issue 2, 2018, Pages 309-321]
  • Nanofiller Diffusive Dynamicsof Binary Lennard-Jones Liquid in the Presence of Gold Nanoparticle: A Mode Coupling Theory Analysis [Volume 1, Issue 1, 2013, Pages 61-68]
  • Nanofluid The Rheology of Nanolubricants Based on Fe2O3, Al2O3, and ZnO Oxide Nanoparticles: A Comparative Study [Volume 11, Issue 2, 2023, Pages 181-189]
  • Nanofluid Combined Effects of Inclination Angle and Imposed Flow on Mixed Convective Cooling Inside a Vented Cavity Crossed by Nanofluids [Volume 11, Issue 3, 2023, Pages 631-642]
  • Nanofluids Nanofluids for Heat Transfer Enhancement – A Review [Volume 1, Issue 1, 2013, Pages 1-33]
  • Nanofluids Magnetorheological and Volumetric Properties of Starch and Polyethylene Glycol Solutions in the Presence of NiO Nanoparticles [Volume 6, Issue 1, 2018, Pages 45-66]
  • Nanofluids Volumetric Properties of Nanofluids by a Perturbed Hard-sphere Chain Equation of State [Volume 11, Issue 4, 2023, Pages 735-745]
  • Nano-micelles Amphiphilic Block Copolymer Nano-micelles: Effect of Length Ratio of the Hydrophilic Block [Volume 3, Issue 3, 2015, Pages 239-245]
  • Nanomimic QM/MM Study on the Mechanism of Aminophenol Oxidation by Functionalized β-Cyclodextrin as Oxidase Nanomimic [Volume 4, Issue 4, 2016, Pages 519-530]
  • Nanoparticle dispersion Effects of Functionalization of Carbon Nanotubes on Activity and Selectivity of Co/CNT Catalysts in Fischer-Tropsch Synthesis [Volume 6, Issue 4, 2018, Pages 795-804]
  • Nanoparticles Ultrasonic-assisted Method for Preparation of Cu-doped ZnS Nanoparticles in Water as a Highly Efficient Visible Light Photocatalyst [Volume 2, Issue 1, 2014, Pages 76-89]
  • Nanoparticles The Rheology of Nanolubricants Based on Fe2O3, Al2O3, and ZnO Oxide Nanoparticles: A Comparative Study [Volume 11, Issue 2, 2023, Pages 181-189]
  • Nanoparticles An Investigation of the Electrophysical Properties of Composite Ceramic Materials Containing Nickel Nanoparticles [Volume 11, Issue 2, 2023, Pages 231-239]
  • Nanoparticles Biosynthesis and Optimization of AgNPs Yield from Chromolaena Odorata Leaf Extract Using Response Surface Methodology (RSM) [Volume 12, Issue 1, 2024, Pages 21-31]
  • Nanoparticles Synthesis of Zinc Oxide Nanoparticles by Citrus Limon as an Effective Photoanode for Dye-Sensitized Solar Cells [Volume 12, Issue 2, 2024, Pages 383-392]
  • Nanoporous materials Coordination and Siting of Cu+ Ion Adsorbed into Silicalite-2 Porous Structure: A Density Functional Theory Study [Volume 5, Issue 1, 2017, Pages 135-152]
  • Nanopowder Structural and Morphological Studies on Strontium Tin Phosphate SrSn(PO4)2 Nanopowder [Volume 10, Issue 2, 2022, Pages 267-271]
  • Nanopowder Structural, Optical, and Luminescence Studies of Sm2O3-Doped Cd2Sr(PO4)2 Nanopowder [Volume 11, Issue 3, 2023, Pages 501-510]
  • Nanorods Fabrication and Characterization of Nanoporous Co Oxide (Co3O4) Prepared by Simple Sol-gel Synthesis [Volume 4, Issue 2, 2016, Pages 153-160]
  • Nano sensor Spontaneous Adsorption, and Selective Sensing of CO, and CO2 Greenhouse Gaseous Species by the more Stable Forms of N4B4 Clusters [Volume 6, Issue 2, 2018, Pages 377-385]
  • Nanosheet Codeposition of Fe3O4 Nanoparticles Sandwiched Between g-C3N4 and TiO2 Nanosheets: Structure, Characterization and High Photocatalytic Activity for Efficiently Degradation of Dye Pollutants [Volume 7, Issue 1, 2019, Pages 65-80]
  • Nano-slit confinement Ejection Time of a Semi-Flexible Polymer from Strong Confinement inside a Nano-slit [Volume 8, Issue 4, 2020, Pages 755-765]
  • Nanostructure adsorbent DFT Study of Nitrous Oxide Adsorption on the Surface of Pt-Decorated Graphene [Volume 4, Issue 4, 2016, Pages 619-626]
  • Nanostructures Sonochemical Green Method for Preparation of Mg-Doped ZnO Nanostructures in Water with Enhanced Photocatalytic Activity [Volume 3, Issue 2, 2015, Pages 99-110]
  • Nanotube Functionalization of the Single-walled Carbon Nanotubes by Sulfur Dioxide and Electric Field Effect, a Theoretical Study on the Mechanism [Volume 4, Issue 4, 2016, Pages 553-565]
  • Nano-vectorization New Insights in the Use of Boron Nitrogen Nanotubes as Cisplatin Nanovector [Volume 11, Issue 2, 2023, Pages 253-265]
  • NaOH Investigating the Influence of Alkali over Morphology, Functional Groups, and Physical and Mechanical Properties of Fiber obtained from Cordia Dichotoma (Gum Berry) [Volume 12, Issue 2, 2024, Pages 349-359]
  • Nasunin Study on the Molecular Interaction of Anthocyanin-rich Eggplant Extracts with Bovine α-Lactalbumin [Volume 10, Issue 4, 2022, Pages 485-494]
  • Natural absorbents Phenol Adsorption from Aqueous Phase onto Prepared Low-cost Carbons from Natural Sources: A Comparative Study [Volume 7, Issue 2, 2019, Pages 327-346]
  • Natural bond orbital (NBO) analysis DFT Studies on Molecular Structure, Absorption properties, NBO Analysis, and Hirshfeld Surface Analysis of Iron(III) Porphyrin Complex [Volume 9, Issue 4, 2021, Pages 701-713]
  • Natural products In Silico Approach for Designing Novel SARS-CoV-2 Inhibitors from Medicinal Plants [Volume 11, Issue 3, 2023, Pages 589-604]
  • Na/γ-alumina catalyst Kinetics of Corn Oil Methanolysis Reaction over Na-Modified Mesoporous Gamma Alumina Catalyst [Volume 9, Issue 1, 2021, Pages 137-149]
  • NBO Theoretical Investigation of Interaction between 5-Fluorouracil Anticancer Drug with Various Nitrosamine Compounds [Volume 3, Issue 2, 2015, Pages 155-167]
  • NBO DFT-PBE, DFT-D, and MP2 Studies on the H2O•••HNH and HOH•••NH2 Hydrogen Bonds in Water-Aniline Complexes [Volume 4, Issue 1, 2016, Pages 95-107]
  • NBO A Computational Study on the Configurational Behaviors of Dihalodiazenes and their Analogues Containing P and As Atoms [Volume 4, Issue 2, 2016, Pages 303-313]
  • NBO The Influence of Cation-π Interactions on the Strength and Nature of Intramolecular O...H Hydrogen Bond in Orthohydroxy Benzaldehyde Compound [Volume 5, Issue 1, 2017, Pages 57-68]
  • NBO Bonding of Phosphoramides onto B-C59 Nanostructure as Drug Delivery Systems [Volume 6, Issue 1, 2018, Pages 15-29]
  • NBO Interaction of HCN Molecule with the Pristine and Al, S and Al & S Doped Beryllium Oxide Nanotube: A Computational Study [Volume 6, Issue 1, 2018, Pages 31-43]
  • NBO Experimental and Theoretical Studies on a Derivative of Tetrahydro-1H-Benzodiazepine [Volume 6, Issue 3, 2018, Pages 505-519]
  • NBO Theoretical Investiga