Author Index

A

  • Abdallah, Hassan Hadi Optical Properties of Some Oligothiophene Derivatives: DFT Study [Volume 4, Issue 1, 2016, Pages 35-46]
  • Ahadi, Zohreh Understanding Hydrogen Adsorption in MIL-47-M (M = V and Fe) through Density Functional Theory [Volume 4, Issue 4, 2016, Pages 607-617]
  • Ahmadifar, S 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]
  • Ajloo, Davood 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]
  • Alipour, Mojtaba 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]
  • Alipour, Yasin 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]
  • Asgharzadeh, Somayeh 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]
  • Azar, Yavar Taghipour Understanding Hydrogen Adsorption in MIL-47-M (M = V and Fe) through Density Functional Theory [Volume 4, Issue 4, 2016, Pages 607-617]

B

  • Baharizadeh, Maryam 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]
  • Bahrami, Hamed Electron Ionization of Serine and Threonine: a Discussion about Peak Intensities [Volume 4, Issue 4, 2016, Pages 539-551]
  • Barakati, Seyed-Masoud 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]
  • Barani, Elham QM/MM Study on the Mechanism of Aminophenol Oxidation by Functionalized β-Cyclodextrin as Oxidase Nanomimic [Volume 4, Issue 4, 2016, Pages 519-530]
  • Behjatmanesh-Ardakani, Reza 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]
  • Behrouzinia, Saeid PVP-Assisted Synthesis of Cobalt Ferrite (CoFe2O4) Nanorods [Volume 4, Issue 4, 2016, Pages 655-662]
  • Beigi, Mohsen An Accurate Correlation to Estimate Saturated Molar Volume of Liquids [Volume 4, Issue 3, 2016, Pages 479-488]
  • Bordbar, Gholam Hossein Calculation of Quasi-one-dimensional Interacting Electron Gas Using the Hartree-Fock Method [Volume 4, Issue 3, 2016, Pages 441-449]
  • Borji Peydeh, F 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]

C

  • Choobdari, Ebrahim Ternary Phase Diagram Modeling of Chiral Medetomidine Salts Using NRTL-SAC Model [Volume 4, Issue 4, 2016, Pages 663-671]

D

  • Dezhampanah, Hamid Spectroscopic Studies on the Interaction of Co(II) Tetrapyridinoporphyrazine with Synthetic Polynucleotides and DNA [Volume 4, Issue 2, 2016, Pages 161-172]
  • Douroudgari, Hamed 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]

E

  • Ebrahimi, Ali The Nature of Halogen Bonds in [N∙∙∙X∙∙∙N]+ Complexes: A Theoretical Study [Volume 4, Issue 1, 2016, Pages 1-15]
  • Ebraiimi, Ali 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]
  • Esrafili, Mehdi D Microsolvation of NO2+ in Helium: An Ab Initio Study on NO2+-Hen Clusters (n ≤ 7) [Volume 4, Issue 1, 2016, Pages 109-117]

F

  • Fakhraian, Hossein Ternary Phase Diagram Modeling of Chiral Medetomidine Salts Using NRTL-SAC Model [Volume 4, Issue 4, 2016, Pages 663-671]
  • Fakhrpour, Ghasem Thermal Degradation Kinetic Study of a Fuel-rich Energetic Mixture Containing Epoxy Binder [Volume 4, Issue 3, 2016, Pages 369-378]
  • Farahmandjou, Majid Fabrication and Characterization of Nanoporous Co Oxide (Co3O4) Prepared by Simple Sol-gel Synthesis [Volume 4, Issue 2, 2016, Pages 153-160]
  • Farahmandjou, Majid PVP-Assisted Synthesis of Cobalt Ferrite (CoFe2O4) Nanorods [Volume 4, Issue 4, 2016, Pages 655-662]
  • Farajmand, Bahman Electron Ionization of Serine and Threonine: a Discussion about Peak Intensities [Volume 4, Issue 4, 2016, Pages 539-551]
  • Feyzi, Elnaz Thermal Conductivity of Reduced Graphene Oxide by Pulse Laser in Ethylene Glycol [Volume 4, Issue 3, 2016, Pages 407-415]
  • Feyzi, Mostafa 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]

G

  • Gerayeli, Narjes Theoretical Study on Glycosyl Group Effect on Antioxidant Ability of Chrysin Bioflavonoid [Volume 4, Issue 4, 2016, Pages 643-654]
  • Ghadamgahi, Maryam 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]
  • Ghadari, Rahim A Computational Study on the Stability of Dapdiamide D Conformers [Volume 4, Issue 4, 2016, Pages 567-581]
  • Ghaffari, Fariba 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]
  • Ghanadzadeh Gilani, Ali 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]
  • Ghanadzadeh Gilani, H 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]
  • Ghanbaryan Sani Gasem Abad, Narjes Thermal Conductivity of Reduced Graphene Oxide by Pulse Laser in Ethylene Glycol [Volume 4, Issue 3, 2016, Pages 407-415]
  • Ghiasi, Mina 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]
  • Ghiasi, Mina Theoretical Study on Glycosyl Group Effect on Antioxidant Ability of Chrysin Bioflavonoid [Volume 4, Issue 4, 2016, Pages 643-654]
  • Gholizadeh, Mostafa 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]
  • Goharshadi, Elaheh K. Lanthania Colloidal Nanoparticles: Hydrothermal Synthesis, Structural, and Rheological Properties [Volume 4, Issue 2, 2016, Pages 143-151]
  • Golestan, Somayeh 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]

H

  • Habibi-khorassani, Sayeydmosatfa 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]
  • Haghighat Nezhad, Mohammad Reza An Accurate Correlation to Estimate Saturated Molar Volume of Liquids [Volume 4, Issue 3, 2016, Pages 479-488]
  • Handali, Avatef 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]
  • Hekayati, Javad Liquid Density Modeling of Pure Refrigerants Using Four Lattice-Hole Theory Based Equations of State [Volume 4, Issue 1, 2016, Pages 17-33]
  • Heyhat, Mohhamad Mahdi Thermal Conductivity of Reduced Graphene Oxide by Pulse Laser in Ethylene Glycol [Volume 4, Issue 3, 2016, Pages 407-415]
  • Honarbakhsh, Sarvin PVP-Assisted Synthesis of Cobalt Ferrite (CoFe2O4) Nanorods [Volume 4, Issue 4, 2016, Pages 655-662]
  • Honarmand, Mehrdad An Accurate Correlation to Estimate Saturated Molar Volume of Liquids [Volume 4, Issue 3, 2016, Pages 479-488]
  • Hosseini, Seyyedeh Marziyeh Cooperative and Diminutive Interplay between Halogen, Hydride and Cation-σ Interactions [Volume 4, Issue 4, 2016, Pages 583-589]
  • Hosseinzadeh-Khanmiri, Rahim A Computational Study on the Stability of Dapdiamide D Conformers [Volume 4, Issue 4, 2016, Pages 567-581]
  • Housaindokht, Mohammad Reza QM/MM Study on the Mechanism of Aminophenol Oxidation by Functionalized β-Cyclodextrin as Oxidase Nanomimic [Volume 4, Issue 4, 2016, Pages 519-530]
  • Houshmand, Fatemeh Halogenated Graphdiyne and Graphyne Single Layers: A Systematic Study [Volume 4, Issue 2, 2016, Pages 231-243]

I

  • Izadyar, Mohammad A Theoretical Study on the Structure-Radical Scavenging Activity of Some Hydroxyphenols [Volume 4, Issue 1, 2016, Pages 73-82]
  • Izadyar, Mohammad 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]
  • Izadyar, Mohammad QM/MM Study on the Mechanism of Aminophenol Oxidation by Functionalized β-Cyclodextrin as Oxidase Nanomimic [Volume 4, Issue 4, 2016, Pages 519-530]
  • Izadyar, Mohammad 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]

J

  • Jalili, Seifollah Halogenated Graphdiyne and Graphyne Single Layers: A Systematic Study [Volume 4, Issue 2, 2016, Pages 231-243]
  • Javanmardi, Jafar Liquid Density Modeling of Pure Refrigerants Using Four Lattice-Hole Theory Based Equations of State [Volume 4, Issue 1, 2016, Pages 17-33]
  • Jouypazadeh, Hamidreza 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]

K

  • Kalantari Fotooh, Forough 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]
  • Kamalinahad, Saeedeh Sensing Performance of Sc-doped B12N12 Nanocage for Detecting Toxic Cyanogen Gas: A Computational Study [Volume 4, Issue 3, 2016, Pages 315-332]
  • Kamalinahad, Saeedeh 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]
  • Karamipour, Asma 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]
  • Kheirabadi, Ramesh A Theoretical Study on the Structure-Radical Scavenging Activity of Some Hydroxyphenols [Volume 4, Issue 1, 2016, Pages 73-82]
  • Kianersi, Sina 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]
  • Kianersi, Sina 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]
  • Kimiagar, Salimeh Thermal Conductivity of Reduced Graphene Oxide by Pulse Laser in Ethylene Glycol [Volume 4, Issue 3, 2016, Pages 407-415]

L

M

  • Madram, Ali Reza Thermal Degradation Kinetic Study of a Fuel-rich Energetic Mixture Containing Epoxy Binder [Volume 4, Issue 3, 2016, Pages 369-378]
  • Mahvelati,, Tahreh Lanthania Colloidal Nanoparticles: Hydrothermal Synthesis, Structural, and Rheological Properties [Volume 4, Issue 2, 2016, Pages 143-151]
  • Mirheydari, Seyyedeh Narjes Conductometric Analysis of some Ionic Liquids, 1-Alkyl-3-methylimidazolium Bromide with Aspirin in Acetonitrile Solutions [Volume 4, Issue 3, 2016, Pages 355-368]
  • Mirzaei, Ali Akbar 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]
  • Mohammadi, Leyla 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]
  • Mohammadian, Fatemeh Microsolvation of NO2+ in Helium: An Ab Initio Study on NO2+-Hen Clusters (n ≤ 7) [Volume 4, Issue 1, 2016, Pages 109-117]
  • Mohammadi Doust, Akbar 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]
  • Molaei, Masoumeh 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]
  • Moshfegh, Mahboobeh Optical Properties of Some Oligothiophene Derivatives: DFT Study [Volume 4, Issue 1, 2016, Pages 35-46]
  • Mousavi, Seyede Negar 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]
  • Mousavi-khoshdel, seyed Morteza 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]
  • Movahedi, Maryam 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]

N

  • Nakhaeipour, Ali 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]
  • Natraj, H. Synthesis and Characterization of LiMnPO4/Carbon Nanocomposite Material as Cathode Material [Volume 4, Issue 2, 2016, Pages 285-289]
  • Noormohammadbeigi, Motahareh 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]
  • Noormohammadbeigi, Motahareh HNO Detection by Nanosized B12N12 Cage: A DFT/TDDFT Study [Volume 4, Issue 4, 2016, Pages 693-706]
  • Noroozi-Shad, Nazanin 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]

O

  • Oftadeh, Mohsen Optical Properties of Some Oligothiophene Derivatives: DFT Study [Volume 4, Issue 1, 2016, Pages 35-46]

P

  • Peymani, Samira 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]
  • Pourgharib, Vahid An Accurate Correlation to Estimate Saturated Molar Volume of Liquids [Volume 4, Issue 3, 2016, Pages 479-488]
  • Pourpanah, Sayyede Shadfar 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]

R

  • Rafee, Vahdat Theoretical Study of Polyethylene Crystallization Using Modified Weighted Density Approximation (MWDA) [Volume 4, Issue 2, 2016, Pages 209-219]
  • Rahimi, Masoud 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]
  • Rangappa, D. Synthesis and Characterization of LiMnPO4/Carbon Nanocomposite Material as Cathode Material [Volume 4, Issue 2, 2016, Pages 285-289]
  • Rasouli, Nahid 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]
  • Rasouli, Nahid Influence of a Novel Magnetic Recoverable Support on Kinetic, Stability and Activity of Beta-amylase Enzyme [Volume 4, Issue 2, 2016, Pages 271-283]
  • Rasouli, Nahid 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]
  • Razavizadeh, Seyed Ahmad 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]
  • Razeghizadeh, Alireza Theoretical Study of Polyethylene Crystallization Using Modified Weighted Density Approximation (MWDA) [Volume 4, Issue 2, 2016, Pages 209-219]
  • Razmazma, Hafez The Nature of Halogen Bonds in [N∙∙∙X∙∙∙N]+ Complexes: A Theoretical Study [Volume 4, Issue 1, 2016, Pages 1-15]
  • Roghayeh Majdan‒Cegincara, Roghayeh A Computational Study on the Stability of Dapdiamide D Conformers [Volume 4, Issue 4, 2016, Pages 567-581]
  • Roosta, Aliakbar Liquid Density Modeling of Pure Refrigerants Using Four Lattice-Hole Theory Based Equations of State [Volume 4, Issue 1, 2016, Pages 17-33]

S

  • Saaidpour, Saadi Quantitative Modeling for Prediction of Critical Temperature of Refrigerant Compounds [Volume 4, Issue 1, 2016, Pages 61-71]
  • Saheb, Vahid 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]
  • Salavti, Hossein 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]
  • Salimi, Morteza Ternary Phase Diagram Modeling of Chiral Medetomidine Salts Using NRTL-SAC Model [Volume 4, Issue 4, 2016, Pages 663-671]
  • Samareh Delarami, Hojat The Nature of Halogen Bonds in [N∙∙∙X∙∙∙N]+ Complexes: A Theoretical Study [Volume 4, Issue 1, 2016, Pages 1-15]
  • Schofield, Jeremy Halogenated Graphdiyne and Graphyne Single Layers: A Systematic Study [Volume 4, Issue 2, 2016, Pages 231-243]
  • Seyed Saadat, S.L. 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]
  • Shadman, Muhammad Understanding Hydrogen Adsorption in MIL-47-M (M = V and Fe) through Density Functional Theory [Volume 4, Issue 4, 2016, Pages 607-617]
  • Shahraki, Mehdi 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]
  • Shakerzadeh, Ehsan Sensing Performance of Sc-doped B12N12 Nanocage for Detecting Toxic Cyanogen Gas: A Computational Study [Volume 4, Issue 3, 2016, Pages 315-332]
  • Shekaari, Hemayat 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]
  • Shekaari, Hemayat Conductometric Analysis of some Ionic Liquids, 1-Alkyl-3-methylimidazolium Bromide with Aspirin in Acetonitrile Solutions [Volume 4, Issue 3, 2016, Pages 355-368]
  • Shekarsaraee, Sina Phase Equilibria of the Ternary System Water + Phosphoric Acid + 1-Nonanol at Different Temperatures [Volume 4, Issue 3, 2016, Pages 507-518]
  • Shojaie, Fahimeh Theoretical Studies of the Vibrational Spectra and Molecular Structures of Dosulepin and Doxepin [Volume 4, Issue 2, 2016, Pages 245-270]
  • Shojaie, Fahimeh 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]
  • Shokuhi Rad, Ali DFT Study of Nitrous Oxide Adsorption on the Surface of Pt-Decorated Graphene [Volume 4, Issue 4, 2016, Pages 619-626]
  • Sohrabi, Nasrin 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]
  • Sohrabi, Nasrin Influence of a Novel Magnetic Recoverable Support on Kinetic, Stability and Activity of Beta-amylase Enzyme [Volume 4, Issue 2, 2016, Pages 271-283]
  • Solimannejad, Mohammad Microsolvation of NO2+ in Helium: An Ab Initio Study on NO2+-Hen Clusters (n ≤ 7) [Volume 4, Issue 1, 2016, Pages 109-117]
  • Solimannejad, Mohammad Sensing Performance of Sc-doped B12N12 Nanocage for Detecting Toxic Cyanogen Gas: A Computational Study [Volume 4, Issue 3, 2016, Pages 315-332]
  • Solimannejad, Mohammad Cooperative and Diminutive Interplay between Halogen, Hydride and Cation-σ Interactions [Volume 4, Issue 4, 2016, Pages 583-589]
  • Solimannejad, Mohammad 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]
  • Solimannejad, Mohammad 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]
  • Solimannejad, Mohammad HNO Detection by Nanosized B12N12 Cage: A DFT/TDDFT Study [Volume 4, Issue 4, 2016, Pages 693-706]
  • Sovizi, Mohammad Reza Thermal Degradation Kinetic Study of a Fuel-rich Energetic Mixture Containing Epoxy Binder [Volume 4, Issue 3, 2016, Pages 369-378]

T

  • Tafazzoli, Mohsen Theoretical Study on Glycosyl Group Effect on Antioxidant Ability of Chrysin Bioflavonoid [Volume 4, Issue 4, 2016, Pages 643-654]
  • Taheri, N. Calculation of Quasi-one-dimensional Interacting Electron Gas Using the Hartree-Fock Method [Volume 4, Issue 3, 2016, Pages 441-449]

V

  • Vahedpour, Morteza 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]
  • Valehi Reykandeh, Samra 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]

Y

  • Yahyaei, Hooriye 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]
  • Yazdanbakhsh, Mohammad Lanthania Colloidal Nanoparticles: Hydrothermal Synthesis, Structural, and Rheological Properties [Volume 4, Issue 2, 2016, Pages 143-151]

Z

  • Zafarani-Moattar, Mohammed Taghi 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]
  • Zafarani-Moattar, Mohammed Taghi Conductometric Analysis of some Ionic Liquids, 1-Alkyl-3-methylimidazolium Bromide with Aspirin in Acetonitrile Solutions [Volume 4, Issue 3, 2016, Pages 355-368]
  • Zakarianezhad, Mohammad 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]
  • Zamani, Elham Influence of a Novel Magnetic Recoverable Support on Kinetic, Stability and Activity of Beta-amylase Enzyme [Volume 4, Issue 2, 2016, Pages 271-283]
  • Zarenezhad, Bahman Ternary Phase Diagram Modeling of Chiral Medetomidine Salts Using NRTL-SAC Model [Volume 4, Issue 4, 2016, Pages 663-671]
  • Zebardasti, Abedin Cooperative and Diminutive Interplay between Halogen, Hydride and Cation-σ Interactions [Volume 4, Issue 4, 2016, Pages 583-589]