Why do Bimetallic Clusters have more Chemical Reactivity? Study the VnNim (2 ≤ n + m ≤ 6) Clusters as the Nano Species

Volume 7, Issue 4, December 2019, Pages 715-729

Ali Haidar Pakiari; Fazlolah Eshghi; Maryam Salarhaji

Why do Bimetallic Clusters have more Chemical Reactivity? Study the VnNim (2 ≤ n + m ≤ 6) Clusters as the Nano Species


The DFT chemical investigations of optoelectronic and photovoltaic properties of short-chain conjugated molecules

Volume 2, Issue 1, June 2014, Pages 11-20

Mohammed Bouachrine; Najat Belghiti; Mohammed Nassiri Bennani; Simohamed Bouzzine; Mohamed Hamidi

The DFT chemical investigations of optoelectronic and photovoltaic properties of short-chain conjugated molecules


Bonding of Phosphoramides onto B-C59 Nanostructure as Drug Delivery Systems

Volume 6, Issue 1, March 2018, Pages 15-29

Zahra --- Shariatinia

Bonding of Phosphoramides onto B-C59 Nanostructure as Drug Delivery Systems


VLE Properties from ISM Equation of State: Application to Pure and Mixture

Volume 3, Issue 1, March 2015, Pages 16-23

Fatemeh Fadaei Nobandegani; Mohammad Mehdi Alavian mehr; Jalil Moghadasi

VLE Properties from ISM Equation of State: Application to Pure and Mixture


Liquid Density Modeling of Pure Refrigerants Using Four Lattice-Hole Theory Based Equations of State

Volume 4, Issue 1, March 2016, Pages 17-33

Javad Hekayati; Aliakbar Roosta; Jafar Javanmardi

Liquid Density Modeling of Pure Refrigerants Using Four Lattice-Hole Theory Based Equations of State


Effect of Medium on the Kinetics of Stereoselective Synthesis of a Highly Functionalized Cyclopropanesame

Volume 8, Issue 1, March 2020, Pages 19-30

Fatemeh Mahmoudi; Mehdi Shahraki; Sayeydmosatfa Habibi-khorassani

Effect of Medium on the Kinetics of Stereoselective Synthesis of a Highly Functionalized Cyclopropanesame


The Thermodynamic Properties of Polarized Metallic Nanowire in the Presence of Magnetic Field

Volume 1, Issue 1, June 2013, Pages 34-40

Gholam Hossein Bordbar; Leila Shahsavar; Maryam Sadeghipour

The Thermodynamic Properties of Polarized Metallic Nanowire in the Presence of Magnetic Field


Synthesis and Characterization of α-Fe2O3 Nanoparticles by Simple Co-Precipitation Method

Volume 3, Issue 3, September 2015, Pages 191-196

Majid Farahmandjou; Farzane Soflaee

Synthesis and Characterization of α-Fe2O3 Nanoparticles by Simple Co-Precipitation Method


Molecular Dynamics Simulation of Al/NiO Thermite Reaction Using Reactive Force Field (ReaxFF)

Volume 5, Issue 2, June 2017, Pages 221-237

Hossein Azizi Toupkanloo; Manoochehr Fathollahi

Molecular Dynamics Simulation of Al/NiO Thermite Reaction Using Reactive Force Field (ReaxFF)


Structural Investigation, Proton and Electron Affinities, Gas Phase Basicities, and Ionization Energies of Captopril

Volume 7, Issue 2, June 2019, Pages 245-259

Samaneh Naderi; Hamed Bahrami; Morteza Vahedpour; Mozhgan Sabzehzari

Structural Investigation, Proton and Electron Affinities, Gas Phase Basicities, and Ionization Energies of Captopril


An Efficient Method for Correlation of Vapor Pressure of Gaseous Compounds Containing C-H-O

Volume 3, Issue 4, December 2015, Pages 279-291

Mehdi Reiszadeh; Ehsan Sanjari; Zahra Jali; Mohammad Saviz Baktash

An Efficient Method for Correlation of Vapor Pressure of Gaseous Compounds Containing C-H-O


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, September 2020, Pages 399-416

Justinah Solayide Amoko; Olawale Folorunsho Akinyele; Oluwatoba Emmanuel Oyeneyin; Dare Olayanju; Christopher Olumuyiwa Aboluwoye

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


Selective Binding of Cyclic Nanopeptide with Halides and Ion Pairs; a DFT-D3 Study

Volume 5, Issue 3, September 2017, Pages 425-437

Mohammad Izadyar; Mohammad Khavani

Selective Binding of Cyclic Nanopeptide with Halides and Ion Pairs; a DFT-D3 Study


An Improved ISM Equation of State for Polar Fluids

Volume 7, Issue 3, September 2019, Pages 467-474

Mohammad Hassan Mousazadeh

An Improved ISM Equation of State for Polar Fluids