Author Index

A

  • Abba, Hamza Thermodynamics and Kinetics of Spiro-Heterocycle Formation Mechanism: Computational Study [Volume 5, Issue 3, 2017, Pages 439-446]
  • Achouri, Bilal 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]
  • Ahmadi, Mojtaba Simultaneous Ash and Sulphur Removal from Bitumen Using Column Flotation Technique: Experiments, RSM Modeling and Optimization [Volume 5, Issue 1, 2017, Pages 195-204]
  • Ahmadi, Roya 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]
  • Ahmadzadeh, Hossein 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]
  • Ajloo, Davood Spectroscopic, Thermodynamic and Molecular Docking Studies on Interaction of Toxic Azo Dye with Bovine Serum Albumin [Volume 5, Issue 3, 2017, Pages 541-554]
  • Akbartabar, Iman 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]
  • Alimohammadi, Masoud New Activated Carbon from Persian Mesquite Grain as an Excellent Adsorbent [Volume 5, Issue 1, 2017, Pages 81-98]
  • Almasi, Mohammad 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]
  • AnsariFard, Mohammad 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]
  • Arianfar, Fatemeh Molecular Dynamics Simulation of the Melting Process in Au15Ag40 Nanoalloys [Volume 5, Issue 2, 2017, Pages 359-366]
  • Ashraf, Narges Surfactant Effects on Tautomeric and Microscopic Equilibria of Tryptophan: Experimental and Theoretical Studies [Volume 5, Issue 1, 2017, Pages 25-39]
  • Atashi, Hossein 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]
  • Atashi, Hossein 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]
  • Azizi, Zahra 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]
  • Azizi Toupkanloo, Hossein Molecular Dynamics Simulation of Al/NiO Thermite Reaction Using Reactive Force Field (ReaxFF) [Volume 5, Issue 2, 2017, Pages 221-237]

B

  • Bagherinia, Mohammad Ali 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]
  • Bahrpaima, khatereh 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]
  • Bashiri, Hadis Kinetic Monte Carlo Study of Biodiesel Production through Transesterification of Brassica Carinata Oil [Volume 5, Issue 2, 2017, Pages 329-338]
  • Behjatmanesh-Ardakani, Reza 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]
  • Behnejad, Hassan Molecular Dynamics Simulation of the Melting Process in Au15Ag40 Nanoalloys [Volume 5, Issue 2, 2017, Pages 359-366]
  • Behzadi, Mehdi 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]
  • Belmiloud, Yamina 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]
  • Bijanzadeh, Ali Reza 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]
  • Binaei Ghotbabadi, Bahareh 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]
  • Bordbar, Abdol-Khalegh 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]
  • Bordbar, Gholam Hossein Variational Calculations for the Relativistic Interacting Fermion System at Finite Temperature: Application to Liquid 3He [Volume 5, Issue 1, 2017, Pages 99-112]
  • Bozorgzadeh, Hamid Reza Kinetic Model Study of Dry Reforming of Methane Using Cold Plasma [Volume 5, Issue 2, 2017, Pages 395-408]
  • Brahimi, Meziane 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]

E

  • Ebrahimikia, Maryam 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]
  • Elahifard, MohammadReza 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]
  • Emmanuel Olaoye, Oluwasegun 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]
  • Entezari, Mohammad H. 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]
  • Ershad-Langroudi, Amir Enhanced Procedure for Fabrication of an Ultrahydrophobic Aluminum Alloy Surface using Fatty Acid Modifiers [Volume 5, Issue 2, 2017, Pages 339-357]
  • Eshghi, Fazlolah 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]
  • Esmaeilzadeh, Fereidun Diesel Oil Upgradation by Ultrasound Irradiation: A Study on the Effects of Main Operational Parameters [Volume 5, Issue 4, 2017, Pages 691-707]

F

  • Fallahah, Mehrdad Enhanced Procedure for Fabrication of an Ultrahydrophobic Aluminum Alloy Surface using Fatty Acid Modifiers [Volume 5, Issue 2, 2017, Pages 339-357]
  • Farhangi, Marjan Surfactant Effects on Tautomeric and Microscopic Equilibria of Tryptophan: Experimental and Theoretical Studies [Volume 5, Issue 1, 2017, Pages 25-39]
  • Farmanzadeh, Davood The Length Dependent Activity of Oximes on Reactivation of Tabun Inhibited Acetylcholinesterase; A Theoretical Study [Volume 5, Issue 2, 2017, Pages 309-315]
  • Farsad, Maryam 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]
  • Farshchi Tabrizi, Farshad 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]
  • Farzi, Nahid 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]
  • Fathollahi, Manoochehr Molecular Dynamics Simulation of Al/NiO Thermite Reaction Using Reactive Force Field (ReaxFF) [Volume 5, Issue 2, 2017, Pages 221-237]
  • Fazeli, Morteza Preparation and Characterization of a Novel Biodegradable Epoxy Resin Modified with Epoxidized Oleic Acid [Volume 5, Issue 4, 2017, Pages 629-641]
  • Fazeli, Seyed Morteza Kinetic Model Study of Dry Reforming of Methane Using Cold Plasma [Volume 5, Issue 2, 2017, Pages 395-408]
  • Felrgari, Zahra Adsorption Properties of Folic Acid onto Functionalized Carbon Nanotubes: Isotherms and Thermodynamics Studies [Volume 5, Issue 3, 2017, Pages 519-529]
  • Funso Olorunyomi, Joseph 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]

G

  • Ghambarian, Mehdi 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]
  • Ghasemian Lemraski, Ensieh New Activated Carbon from Persian Mesquite Grain as an Excellent Adsorbent [Volume 5, Issue 1, 2017, Pages 81-98]
  • Ghashghaee, Mohammad 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]
  • Ghashghaee, Mohammad Enhanced Procedure for Fabrication of an Ultrahydrophobic Aluminum Alloy Surface using Fatty Acid Modifiers [Volume 5, Issue 2, 2017, Pages 339-357]
  • Ghashghaee, Mohammad Mechanism Discrimination for Bimolecular Reactions: Revisited with a Practical Hydrogenation Case Study [Volume 5, Issue 4, 2017, Pages 727-736]
  • Ghazizadeh, Ehsan 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]
  • Ghiasi, Mina 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]
  • Ghogomu, Julius Numbonui 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]
  • Ghogomu, Julius Numbonui 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]
  • Gholamhosseinzadeh, Mohammad Reza Mentha spicata L. Extract as a Green Corrosion Inhibitor for Carbon Steel in HCl Solution [Volume 5, Issue 2, 2017, Pages 293-307]
  • Gholami, Samira 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]
  • Ghorbanloo, Massomeh pH Sensitive Hydrogel Based Acrylic Acid for Controlled Drug Release [Volume 5, Issue 1, 2017, Pages 185-193]
  • Ghows, Narjes 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]
  • Goharshadi, Elaheh K. 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]
  • Golestani, Ghasem Mentha spicata L. Extract as a Green Corrosion Inhibitor for Carbon Steel in HCl Solution [Volume 5, Issue 2, 2017, Pages 293-307]
  • Gordi, Zinat Preparation and Characterization of a Novel Biodegradable Epoxy Resin Modified with Epoxidized Oleic Acid [Volume 5, Issue 4, 2017, Pages 629-641]

H

  • Habibi-khorassani, Sayeydmosatfa 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]
  • Hamedani, Shahla Adsorption Properties of Folic Acid onto Functionalized Carbon Nanotubes: Isotherms and Thermodynamics Studies [Volume 5, Issue 3, 2017, Pages 519-529]
  • Hashemi Dashtaki, Seyedeh Leila 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]
  • Hatami, Ali 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]
  • Heydari, Ali pH Sensitive Hydrogel Based Acrylic Acid for Controlled Drug Release [Volume 5, Issue 1, 2017, Pages 185-193]
  • Honarmand, Mehrdad Empirical Correlations and an Artificial Neural Network Approach to Estimate Saturated Vapor Pressure of Refrigerants [Volume 5, Issue 2, 2017, Pages 281-292]
  • Housaindokht, Mohammed Reza Surfactant Effects on Tautomeric and Microscopic Equilibria of Tryptophan: Experimental and Theoretical Studies [Volume 5, Issue 1, 2017, Pages 25-39]

I

  • Idris, Sulaiman Thermodynamics and Kinetics of Spiro-Heterocycle Formation Mechanism: Computational Study [Volume 5, Issue 3, 2017, Pages 439-446]
  • Izadyar, Mohammad Selective Binding of Cyclic Nanopeptide with Halides and Ion Pairs; a DFT-D3 Study [Volume 5, Issue 3, 2017, Pages 425-437]

J

  • Jafari, Parisa 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]
  • Jahantab, Mahjobeh Sensitivity of Perfect and Stone-Wales Defective BNNTs Toward NO Molecule: A DFT/M06-2X Approach [Volume 5, Issue 1, 2017, Pages 167-183]
  • Javanmardi, Jafar A Fugacity Approach for Prediction of Phase Equilibria of Methane Clathrate Hydrate in Structure H [Volume 5, Issue 3, 2017, Pages 465-481]
  • Joshaghani, Mohammad Simultaneous Ash and Sulphur Removal from Bitumen Using Column Flotation Technique: Experiments, RSM Modeling and Optimization [Volume 5, Issue 1, 2017, Pages 195-204]

K

  • Karami, Bahador 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]
  • Karami, Leila 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]
  • Kassaee, Mohammad Zaman N-Heterocyclic Plumbylenes (NHPbs) at Theoretical Levels [Volume 5, Issue 4, 2017, Pages 819-830]
  • Khanmohammadi, Azadeh 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]
  • Khavani, Mohammad Selective Binding of Cyclic Nanopeptide with Halides and Ion Pairs; a DFT-D3 Study [Volume 5, Issue 3, 2017, Pages 425-437]

M

  • Madadi Mahani, Nosrat 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]
  • Mahmoudi Ghalvandi, Maryam 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]
  • Majdan-Cegincara, Roghayeh Modeling the Thermodynamic Properties of Solutions Containing Polymer and Electrolyte with New Local Composition Model [Volume 5, Issue 3, 2017, Pages 505-518]
  • Mama, Désiré Bikélé 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]
  • Meghdadi Isfahani, Amir Homayoon Empirical Correlations and an Artificial Neural Network Approach to Estimate Saturated Vapor Pressure of Refrigerants [Volume 5, Issue 2, 2017, Pages 281-292]
  • Mirzaei, Ali Akbar 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]
  • Mizani, S. Variational Calculations for the Relativistic Interacting Fermion System at Finite Temperature: Application to Liquid 3He [Volume 5, Issue 1, 2017, Pages 99-112]
  • Mohammadi, Amir H. A Fugacity Approach for Prediction of Phase Equilibria of Methane Clathrate Hydrate in Structure H [Volume 5, Issue 3, 2017, Pages 465-481]
  • Mohammadi, Marzyeh 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]
  • Mohammadian-Abriz, Ali Modeling the Thermodynamic Properties of Solutions Containing Polymer and Electrolyte with New Local Composition Model [Volume 5, Issue 3, 2017, Pages 505-518]
  • Mohammadi Sabet, M. T. Variational Calculations for the Relativistic Interacting Fermion System at Finite Temperature: Application to Liquid 3He [Volume 5, Issue 1, 2017, Pages 99-112]
  • Mohebi, Nazanin N-Heterocyclic Plumbylenes (NHPbs) at Theoretical Levels [Volume 5, Issue 4, 2017, Pages 819-830]
  • Monhemi, Hassan Surfactant Effects on Tautomeric and Microscopic Equilibria of Tryptophan: Experimental and Theoretical Studies [Volume 5, Issue 1, 2017, Pages 25-39]
  • Moradi, Mahmood 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]
  • Moradmand Jalali, Hamed Kinetic Monte Carlo Simulation of Oxalic Acid Ozonationover Lanthanum-based Perovskitesas Catalysts [Volume 5, Issue 1, 2017, Pages 1-11]
  • Mowla, Dariush Diesel Oil Upgradation by Ultrasound Irradiation: A Study on the Effects of Main Operational Parameters [Volume 5, Issue 4, 2017, Pages 691-707]

N

  • Naderi, Shabnam 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]
  • Narouei, Simin 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]
  • Nasirizadeh, Navid 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]
  • Nassaj Gerowgi, Zeinab Measurement of Thermophysical Properties of Pure and Mixture of Alkanolamines from 288.15-323.15 K [Volume 5, Issue 2, 2017, Pages 269-279]
  • Nkungli, Nyiang Kennet 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]
  • Nkungli, Nyiang Kennet 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]
  • Nogheu, Ludovid Ngouo 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]
  • Noohi, Bahare 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]
  • Norouzi, Nazanin Zahra 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]
  • Noura, Mehdi Hydrogen Adsorption on (5,0) and (3,3) Na-decorated BNNTs [Volume 5, Issue 3, 2017, Pages 447-463]

O

  • Owoyomi, Olanrewaju 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]

P

  • Pakiari, Ali Haidar 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]
  • Parvini, Elahe 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]
  • Pourbeiram, Nastaran Kinetic Monte Carlo Study of Biodiesel Production through Transesterification of Brassica Carinata Oil [Volume 5, Issue 2, 2017, Pages 329-338]

R

  • Rabiee, Ahmad Enhanced Procedure for Fabrication of an Ultrahydrophobic Aluminum Alloy Surface using Fatty Acid Modifiers [Volume 5, Issue 2, 2017, Pages 339-357]
  • Rafee, Vahdat 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]
  • Rafiee, Marjan A. Antimalarial Activity of some Conjugated Arylhydrazones: Ab Initio Calculation of Nuclear Quadrupole Coupling Constants (NQCC) [Volume 5, Issue 4, 2017, Pages 681-689]
  • Rahbarian, Rahele Preparation and Characterization of a Novel Biodegradable Epoxy Resin Modified with Epoxidized Oleic Acid [Volume 5, Issue 4, 2017, Pages 629-641]
  • Raissi, Marziyeh Study the Interaction of Ni Complex of Tetradentate Schiff Base Ligand with HEN Egg White Lysozyme [Volume 5, Issue 1, 2017, Pages 113-123]
  • Ramandi, Sara 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]
  • Ramazani, Shapour 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]
  • Rasouli, Nahid Study the Interaction of Ni Complex of Tetradentate Schiff Base Ligand with HEN Egg White Lysozyme [Volume 5, Issue 1, 2017, Pages 113-123]
  • Rasouli, Nahid Spectroscopic, Thermodynamic and Molecular Docking Studies on Interaction of Toxic Azo Dye with Bovine Serum Albumin [Volume 5, Issue 3, 2017, Pages 541-554]
  • Ravari, Fatemeh 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]
  • Ravari, Fatemeh Kinetic Model Study of Dry Reforming of Methane Using Cold Plasma [Volume 5, Issue 2, 2017, Pages 395-408]
  • Ravari, Fatemeh Preparation and Characterization of a Novel Biodegradable Epoxy Resin Modified with Epoxidized Oleic Acid [Volume 5, Issue 4, 2017, Pages 629-641]
  • Razavizadeh, Seyed Ahmad An Improved Correlation for Second Virial Coefficients of Pure Fluids [Volume 5, Issue 1, 2017, Pages 69-79]
  • Razavizadeh, Seyed Ahmad Measurement of Thermophysical Properties of Pure and Mixture of Alkanolamines from 288.15-323.15 K [Volume 5, Issue 2, 2017, Pages 269-279]
  • Razeghizadeh, Alireza 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]
  • Razmjooie, Afshin 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]
  • Reiszadeh, Mehdi Empirical Correlations and an Artificial Neural Network Approach to Estimate Saturated Vapor Pressure of Refrigerants [Volume 5, Issue 2, 2017, Pages 281-292]
  • Rezainejad, Hamid The Length Dependent Activity of Oximes on Reactivation of Tabun Inhibited Acetylcholinesterase; A Theoretical Study [Volume 5, Issue 2, 2017, Pages 309-315]
  • Rezvani, Naficea Spectroscopic, Thermodynamic and Molecular Docking Studies on Interaction of Toxic Azo Dye with Bovine Serum Albumin [Volume 5, Issue 3, 2017, Pages 541-554]
  • Roohi, Hossein Sensitivity of Perfect and Stone-Wales Defective BNNTs Toward NO Molecule: A DFT/M06-2X Approach [Volume 5, Issue 1, 2017, Pages 167-183]
  • Roosta, Aliakbar A Fugacity Approach for Prediction of Phase Equilibria of Methane Clathrate Hydrate in Structure H [Volume 5, Issue 3, 2017, Pages 465-481]
  • Rostamian, Raheleh Molecular Dynamics Simulation of the Melting Process in Au15Ag40 Nanoalloys [Volume 5, Issue 2, 2017, Pages 359-366]
  • Rouhbakhsh Zaeri, Zeinab Surfactant Effects on Tautomeric and Microscopic Equilibria of Tryptophan: Experimental and Theoretical Studies [Volume 5, Issue 1, 2017, Pages 25-39]

S

  • Saboury, Ali Akbar 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]
  • Sadeghzadeh Ahari, Jafar Kinetic Model Study of Dry Reforming of Methane Using Cold Plasma [Volume 5, Issue 2, 2017, Pages 395-408]
  • Saedi, Leila 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]
  • Shafiei Gol, Heydar Ali Hydrogen Adsorption on (5,0) and (3,3) Na-decorated BNNTs [Volume 5, Issue 3, 2017, Pages 447-463]
  • Shahidi Zandi, Mehdi Mentha spicata L. Extract as a Green Corrosion Inhibitor for Carbon Steel in HCl Solution [Volume 5, Issue 2, 2017, Pages 293-307]
  • Shahraki, Farhad 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]
  • Shahraki, Mehdi 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]
  • Shamseddini, Arash Diesel Oil Upgradation by Ultrasound Irradiation: A Study on the Effects of Main Operational Parameters [Volume 5, Issue 4, 2017, Pages 691-707]
  • Sharafinia, Soheila New Activated Carbon from Persian Mesquite Grain as an Excellent Adsorbent [Volume 5, Issue 1, 2017, Pages 81-98]
  • Shayesteh, Alireza 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]
  • Sheikh, Setareh Measurement of Thermophysical Properties of Pure and Mixture of Alkanolamines from 288.15-323.15 K [Volume 5, Issue 2, 2017, Pages 269-279]
  • Shekaari, Hemayat 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]
  • Shirvani, Samira Mechanism Discrimination for Bimolecular Reactions: Revisited with a Practical Hydrogenation Case Study [Volume 5, Issue 4, 2017, Pages 727-736]
  • Shoghi Toosi, Monireh Preparation and Characterization of a Novel Biodegradable Epoxy Resin Modified with Epoxidized Oleic Acid [Volume 5, Issue 4, 2017, Pages 629-641]
  • Siaka, Abdulfatai Adabara Thermodynamics and Kinetics of Spiro-Heterocycle Formation Mechanism: Computational Study [Volume 5, Issue 3, 2017, Pages 439-446]
  • Sinehbaghizadeh, Saeed A Fugacity Approach for Prediction of Phase Equilibria of Methane Clathrate Hydrate in Structure H [Volume 5, Issue 3, 2017, Pages 465-481]
  • Sohillian, Farhang 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]
  • Sohrabi, Nasrin - Study the Interaction of Ni Complex of Tetradentate Schiff Base Ligand with HEN Egg White Lysozyme [Volume 5, Issue 1, 2017, Pages 113-123]
  • Sohrabi, Nasrin Spectroscopic, Thermodynamic and Molecular Docking Studies on Interaction of Toxic Azo Dye with Bovine Serum Albumin [Volume 5, Issue 3, 2017, Pages 541-554]

T

  • Tayebi, Habib-Allah 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]
  • Tazikeh-Lemeski, Elham 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]

U

  • Uzairu, Adamu Thermodynamics and Kinetics of Spiro-Heterocycle Formation Mechanism: Computational Study [Volume 5, Issue 3, 2017, Pages 439-446]

V

  • Vasseghian, Yasser Simultaneous Ash and Sulphur Removal from Bitumen Using Column Flotation Technique: Experiments, RSM Modeling and Optimization [Volume 5, Issue 1, 2017, Pages 195-204]
  • Vatanparast, Morteza 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]

W

  • Waried, Hussein Modulation Response and Relative Intensity Noise Spectra in Quantum Cascade Lasers [Volume 5, Issue 2, 2017, Pages 377-394]

Y

  • Yaghoubi Koupaye, Somaye Empirical Correlations and an Artificial Neural Network Approach to Estimate Saturated Vapor Pressure of Refrigerants [Volume 5, Issue 2, 2017, Pages 281-292]
  • Yazdanshenas, Mohammad Esmail 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]
  • Yazdanshenas, Zakieh 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]
  • Younang, Elie 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]

Z

  • Zafarani-Moattar, Mohammed T. 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]
  • Zahedi, Mansour 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]
  • Zohdi-Fasaei, Hossein 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]