Author Index

A

  • Abdali Hajiabadi, Mahdi Nickel Hydrogenation Composite Catalysts Modified by Zirconium in Competitive Benzene Hydrogenation: Effect of Modifiers [Volume 8, Issue 2, 2020, Pages 203-213]
  • Abdul-Hammed, Misbaudeen 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]
  • Abdul-Hammed, Misbaudeen Viscosity-Temperature Stability, Chemical Characterization, and Fatty Acid Profiles of some Brands of Refined Vegetable Oil [Volume 8, Issue 3, 2020, Pages 417-427]
  • Abdullah, Abdul Halim 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]
  • Abdulwahab, Ibrahim Viscosity-Temperature Stability, Chemical Characterization, and Fatty Acid Profiles of some Brands of Refined Vegetable Oil [Volume 8, Issue 3, 2020, Pages 417-427]
  • Aboluwoye, Christopher Olumuyiwa 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]
  • Adegboyega, Samuel Adewale Viscosity-Temperature Stability, Chemical Characterization, and Fatty Acid Profiles of some Brands of Refined Vegetable Oil [Volume 8, Issue 3, 2020, Pages 417-427]
  • Adewale Adegboyega, Samuel 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]
  • Ait Himi, Mohammed Removal of Azo Dye Calcon Using Polyaniline Films Electrodeposited on SnO2 Substrate [Volume 8, Issue 1, 2020, Pages 111-124]
  • Akinyele, Olawale Folorunsho 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]
  • Alavi, Farzad 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]
  • Aliahmadi, Atousa Silver Nanoparticle Trypsin Corona Formation and the Impacts on Enzymatic Potency [Volume 8, Issue 2, 2020, Pages 241-250]
  • Amar, Abdelouahed 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]
  • Amarray, Amina Removal of Azo Dye Calcon Using Polyaniline Films Electrodeposited on SnO2 Substrate [Volume 8, Issue 1, 2020, Pages 111-124]
  • Amine, Amina 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]
  • Amoko, Justinah Solayide 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]
  • Aouidate, Adnane QSAR Study of New Compounds Based on 1,2,4-Triazole as Potential Anticancer Agents [Volume 8, Issue 1, 2020, Pages 125-137]
  • Arjmand, Mehdi 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]
  • Ayodele Olowolafe, Temitayo 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]
  • Azadfar, Roohollah A New Simple Model to Calculate the Heat Capacity of Pure Ionic Liquids [Volume 8, Issue 1, 2020, Pages 139-154]
  • Azamat, Jafar 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]
  • Azayez, Mansour Theoretical Investigation of the Complexation Reaction of Procaine-hydrochloride by β-cyclodextrin [Volume 8, Issue 1, 2020, Pages 155-165]
  • Aziz, Faissal 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]
  • Azzi, Mohamed Removal of Azo Dye Calcon Using Polyaniline Films Electrodeposited on SnO2 Substrate [Volume 8, Issue 1, 2020, Pages 111-124]

B

  • Babapoor, Aziz Adsorption and Removal Characterization of Nitrobenzene by Graphene Oxide Coated by Polythiophene Nanoparticles [Volume 8, Issue 2, 2020, Pages 225-240]
  • Baba Vali, Sk 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]
  • Bamdad, Mehrdad 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]
  • Baouch, Zakarya Adsorption of Different Dyes from Aqueous Solutions Using Organo-clay Compposites [Volume 8, Issue 4, 2020, Pages 767-787]
  • BE, Kumaraswamy 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]
  • Belhassan, Assia QSAR Study of New Compounds Based on 1,2,4-Triazole as Potential Anticancer Agents [Volume 8, Issue 1, 2020, Pages 125-137]
  • Binazadeh, Mojtaba 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]
  • Bonnaillie, Patrick Removal of Azo Dye Calcon Using Polyaniline Films Electrodeposited on SnO2 Substrate [Volume 8, Issue 1, 2020, Pages 111-124]
  • Bouachrine, Mohammed QSAR Study of New Compounds Based on 1,2,4-Triazole as Potential Anticancer Agents [Volume 8, Issue 1, 2020, Pages 125-137]
  • Bouachrine, Mohammed 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]
  • Bouhadda, Youcef Theoretical Investigation of the Complexation Reaction of Procaine-hydrochloride by β-cyclodextrin [Volume 8, Issue 1, 2020, Pages 155-165]
  • Boukhlifi, Fatima 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]
  • Bouras, Brahim Adsorption of Different Dyes from Aqueous Solutions Using Organo-clay Compposites [Volume 8, Issue 4, 2020, Pages 767-787]

C

  • Chegeni, Mahdieh 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]

D

  • Dabke, Sudir New Generalization of Cohesion Factor Model for Polar Compounds: Peng-Robinson Equation of State [Volume 8, Issue 2, 2020, Pages 355-364]
  • Darvishi-Ganji, khorshid Silver Nanoparticle Trypsin Corona Formation and the Impacts on Enzymatic Potency [Volume 8, Issue 2, 2020, Pages 241-250]
  • Dashti Khavidaki, Hossein 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]
  • Dehghan, Nasim 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]

E

  • El Ghachtouli, Sanae Removal of Azo Dye Calcon Using Polyaniline Films Electrodeposited on SnO2 Substrate [Volume 8, Issue 1, 2020, Pages 111-124]
  • Elmchichi, Larbi QSAR Study of New Compounds Based on 1,2,4-Triazole as Potential Anticancer Agents [Volume 8, Issue 1, 2020, Pages 125-137]
  • Esmaelizadeh, Freidoon Prediction of DES’ Vapor Pressure Using a New Corresponding State Model [Volume 8, Issue 3, 2020, Pages 471-496]

F

  • Fahkraee, Sara 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]
  • Fakhari-Zavareh, Alireza Silver Nanoparticle Trypsin Corona Formation and the Impacts on Enzymatic Potency [Volume 8, Issue 2, 2020, Pages 241-250]
  • Fakruddin Babavali, Sk Computational Study of Debye Temperature for Liquid Mixtures-Thermal Energy Variations [Volume 8, Issue 1, 2020, Pages 167-173]
  • Fazaeli, Reza 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]
  • Fazaeli, Reza 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]
  • Fergoug, Teffaha Theoretical Investigation of the Complexation Reaction of Procaine-hydrochloride by β-cyclodextrin [Volume 8, Issue 1, 2020, Pages 155-165]

G

  • Gaya, Umar 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]
  • Ghaedi, Mehrorang 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]
  • Ghalami-Choobar, Bahram 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]
  • Ghalami-Choobar, Bahram 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]
  • Ghaleb, Adib QSAR Study of New Compounds Based on 1,2,4-Triazole as Potential Anticancer Agents [Volume 8, Issue 1, 2020, Pages 125-137]
  • Ghanadzadeh Gilani, Ali 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]
  • Ghassempour, Alireza Silver Nanoparticle Trypsin Corona Formation and the Impacts on Enzymatic Potency [Volume 8, Issue 2, 2020, Pages 241-250]
  • Ghiasi, Reza 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]
  • Gholami, Mohammad Reza Selective Oxidation of Alkenes by Dioxygen Using Modified Gold Nanoclusters [Volume 8, Issue 3, 2020, Pages 557-568]
  • Ghorbani, Mohammad Hossein 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]
  • Grover, Navya 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]

H

  • Habibi-khorassani, Sayeydmosatfa Effect of Medium on the Kinetics of Stereoselective Synthesis of a Highly Functionalized Cyclopropanesame [Volume 8, Issue 1, 2020, Pages 19-30]
  • Hafizi, Fatemeh Ejection Time of a Semi-Flexible Polymer from Strong Confinement inside a Nano-slit [Volume 8, Issue 4, 2020, Pages 755-765]
  • Hamedi, Fatemeh 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]
  • Hamisu, Abubakar 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]
  • Hashemi, Seyyed Alireza Adsorption and Removal Characterization of Nitrobenzene by Graphene Oxide Coated by Polythiophene Nanoparticles [Volume 8, Issue 2, 2020, Pages 225-240]
  • Hashemi-Moghaddam, Hamid A New Simple Model to Calculate the Heat Capacity of Pure Ionic Liquids [Volume 8, Issue 1, 2020, Pages 139-154]
  • Hoseinpoor, S. Mohammad Ejection Time of a Semi-Flexible Polymer from Strong Confinement inside a Nano-slit [Volume 8, Issue 4, 2020, Pages 755-765]

I

  • Izadi, Mohammad A Reactive Molecular Dynamics Simulation of the Flame Synthesis of Silica Nanoparticles [Volume 8, Issue 4, 2020, Pages 629-644]

J

  • Jabri, Maria 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]
  • Jagdale, Bapu Sonu 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]
  • Jaji, Abdulrafiu Olakunle Viscosity-Temperature Stability, Chemical Characterization, and Fatty Acid Profiles of some Brands of Refined Vegetable Oil [Volume 8, Issue 3, 2020, Pages 417-427]
  • Janighorban, Mohtaram 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]
  • Javanmardi, Jafar 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]
  • Joshipura, Milind New Generalization of Cohesion Factor Model for Polar Compounds: Peng-Robinson Equation of State [Volume 8, Issue 2, 2020, Pages 355-364]

K

  • Kali, Abderahim 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]
  • Kamani, Mina 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]
  • Kamel Ismet, Benabadji Adsorption of Different Dyes from Aqueous Solutions Using Organo-clay Compposites [Volume 8, Issue 4, 2020, Pages 767-787]
  • Karimi, Iftekhar A. 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]
  • Kolawole Oyebamiji, Abel 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]

L

  • Lakhlifi, Tahar QSAR Study of New Compounds Based on 1,2,4-Triazole as Potential Anticancer Agents [Volume 8, Issue 1, 2020, Pages 125-137]
  • Li, Zhi 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]
  • Loulidi, Ilyasse 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]

M

  • Mahmoudi, Fatemeh Effect of Medium on the Kinetics of Stereoselective Synthesis of a Highly Functionalized Cyclopropanesame [Volume 8, Issue 1, 2020, Pages 19-30]
  • Makiabadi, Batoul 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]
  • Mashmoul Moghadam, Seyed Mojtaba 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]
  • Meddah-Araibi, Noureddine Theoretical Investigation of the Complexation Reaction of Procaine-hydrochloride by β-cyclodextrin [Volume 8, Issue 1, 2020, Pages 155-165]
  • Medi, Bijan Adsorption and Removal Characterization of Nitrobenzene by Graphene Oxide Coated by Polythiophene Nanoparticles [Volume 8, Issue 2, 2020, Pages 225-240]
  • Mehrdad, Abbas Modification of PVC with 1-Vinylimidazole for CO2/CH4 Separation: Sorption, Permeation and DFT Studies [Volume 8, Issue 4, 2020, Pages 689-703]
  • Mirzaei, Ali Catalytic Behavior of Co/Al2O3 Nanocatalyst under External Magnetic Field [Volume 8, Issue 4, 2020, Pages 645-656]
  • Mirzajani, Fateme Silver Nanoparticle Trypsin Corona Formation and the Impacts on Enzymatic Potency [Volume 8, Issue 2, 2020, Pages 241-250]
  • Moghadam, Homa 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]
  • Mohadesi, Majid Separation of Acetic Acid from Water Using Organic Solvents: Liquid-Liquid Equilibrium Thermodynamic Investigation [Volume 8, Issue 2, 2020, Pages 267-280]
  • Mohammad-Aghaie, Delara 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]
  • Mohammadi Nafchi, Abdorreza A New Simple Model to Calculate the Heat Capacity of Pure Ionic Liquids [Volume 8, Issue 1, 2020, Pages 139-154]
  • Mousavi, Seyedeh Maryam Prediction of DES’ Vapor Pressure Using a New Corresponding State Model [Volume 8, Issue 3, 2020, Pages 471-496]
  • Mousavi, Seyyed Mojtaba Adsorption and Removal Characterization of Nitrobenzene by Graphene Oxide Coated by Polythiophene Nanoparticles [Volume 8, Issue 2, 2020, Pages 225-240]

N

  • Nikoofard, Narges Ejection Time of a Semi-Flexible Polymer from Strong Confinement inside a Nano-slit [Volume 8, Issue 4, 2020, Pages 755-765]
  • Nikparsa, Amirhosein Catalytic Behavior of Co/Al2O3 Nanocatalyst under External Magnetic Field [Volume 8, Issue 4, 2020, Pages 645-656]
  • Nikparsa, Paria Catalytic Behavior of Co/Al2O3 Nanocatalyst under External Magnetic Field [Volume 8, Issue 4, 2020, Pages 645-656]
  • Noorani, Narmin Modification of PVC with 1-Vinylimidazole for CO2/CH4 Separation: Sorption, Permeation and DFT Studies [Volume 8, Issue 4, 2020, Pages 689-703]
  • Nori, Timmeswara Sarma Computational Study of Debye Temperature for Liquid Mixtures-Thermal Energy Variations [Volume 8, Issue 1, 2020, Pages 167-173]
  • Nosrati Fallahkar, Tayyebe 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]

O

  • Oftadeh, Mohsen 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]
  • Olayanju, Dare 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]
  • Ouchabi, Mbarka 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]
  • Oyeneyin, Oluwatoba Emmanuel 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]

P

  • Parsafard, Nastaran Nickel Hydrogenation Composite Catalysts Modified by Zirconium in Competitive Benzene Hydrogenation: Effect of Modifiers [Volume 8, Issue 2, 2020, Pages 203-213]
  • Pathade, Sandip Sakharam 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]
  • Pathania, Vivek 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]
  • Peyrovi, Mohammad Hassan Nickel Hydrogenation Composite Catalysts Modified by Zirconium in Competitive Benzene Hydrogenation: Effect of Modifiers [Volume 8, Issue 2, 2020, Pages 203-213]
  • Pir, Mahrokh 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]

R

  • Rahmati, Masoomehalsadat 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]
  • Rajendrachari, Shashanka 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]
  • Rasouli, Nahid 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]
  • Rezaei, Raziye Separation of Acetic Acid from Water Using Organic Solvents: Liquid-Liquid Equilibrium Thermodynamic Investigation [Volume 8, Issue 2, 2020, Pages 267-280]
  • Rezaei Sameti, Mahdi 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]

S

  • Saadat Tabrizi, Nasser 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]
  • Sabzyan, Hassan A Reactive Molecular Dynamics Simulation of the Flame Synthesis of Silica Nanoparticles [Volume 8, Issue 4, 2020, Pages 629-644]
  • Sabzyan, Hassan Computational Study of the Precursor Spectroelectrochemistry of Guanine [Volume 8, Issue 4, 2020, Pages 719-735]
  • Salari, Hadi Selective Oxidation of Alkenes by Dioxygen Using Modified Gold Nanoclusters [Volume 8, Issue 3, 2020, Pages 557-568]
  • Salehi, Samie 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]
  • Saravani, Masood Giahi 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]
  • Sarma Nori, Timmeswara 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]
  • Semire, Banjo 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]
  • Shaabanzadeh, Masoud A New Simple Model to Calculate the Heat Capacity of Pure Ionic Liquids [Volume 8, Issue 1, 2020, Pages 139-154]
  • Shafaghat, Mojgan 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]
  • Shah, Nimish New Generalization of Cohesion Factor Model for Polar Compounds: Peng-Robinson Equation of State [Volume 8, Issue 2, 2020, Pages 355-364]
  • Shahraki, Mehdi Effect of Medium on the Kinetics of Stereoselective Synthesis of a Highly Functionalized Cyclopropanesame [Volume 8, Issue 1, 2020, Pages 19-30]
  • Shajari, Nahid Spectroscopic and DFT Investigations on Some New Aryl (trichloroacetyl)carbamate Derivatives [Volume 8, Issue 4, 2020, Pages 705-718]
  • Shakerzadeh, Ehsan 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]
  • Sharma, Shrutila 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]
  • Shekarsaraee, Sina 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]
  • Shokooh Saljooghi, Amir 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]
  • Slassi, Siham 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]
  • Sohrabi, Nasrin - 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]
  • Soleymani, Mousa 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]
  • Srinivasa Sastry, P 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]
  • Srinivasu, Ch Computational Study of Debye Temperature for Liquid Mixtures-Thermal Energy Variations [Volume 8, Issue 1, 2020, Pages 167-173]
  • Srinivasu, Ch 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]

T

  • Tabesh, Fatemeh Computational Study of the Precursor Spectroelectrochemistry of Guanine [Volume 8, Issue 4, 2020, Pages 719-735]
  • Tarin, Mojtaba 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]
  • Tazang, Najmeh 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]

V

  • Vahid, Behrouz 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]
  • Vakili-Nezhaad, G.Reza Prediction of DES’ Vapor Pressure Using a New Corresponding State Model [Volume 8, Issue 3, 2020, Pages 471-496]
  • Vermani, B. K. 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]
  • Vermani, Shashi Kiran 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]

Y

  • Yahyaei, Hooriyeh Spectroscopic and DFT Investigations on Some New Aryl (trichloroacetyl)carbamate Derivatives [Volume 8, Issue 4, 2020, Pages 705-718]
  • Yamni, Khalid 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]
  • Yazdanpanahfard, Zahra 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]
  • Yousefizadeh, Maryam 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]

Z

  • Zakarianezhad, Mohammad 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]
  • Zaki, Hanane 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]
  • Zanganeh, H. 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]
  • Zarei, Fariba Prediction of DES’ Vapor Pressure Using a New Corresponding State Model [Volume 8, Issue 3, 2020, Pages 471-496]
  • Zaroual, Zaina Removal of Azo Dye Calcon Using Polyaniline Films Electrodeposited on SnO2 Substrate [Volume 8, Issue 1, 2020, Pages 111-124]
  • Zelmat, Cherifa Theoretical Investigation of the Complexation Reaction of Procaine-hydrochloride by β-cyclodextrin [Volume 8, Issue 1, 2020, Pages 155-165]
  • Zhong-Yu, Wan QSAR Study of Arylpyridone Oxime Based on the SVM and Elman Algorithms [Volume 8, Issue 2, 2020, Pages 215-223]