Number of Articles: 341
27. Why do Bimetallic Clusters have more Chemical Reactivity? Study the VnNim (2 ≤ n + m ≤ 6) Clusters as the Nano Species

Volume 7, Issue 4, Autumn 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


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

Volume 2, Issue 1, Spring 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


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

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

Zahra --- Shariatinia

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


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

Volume 3, Issue 1, Winter 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


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

Volume 4, Issue 1, Winter 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


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

Volume 8, Issue 1, Winter 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


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

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

Gholam Hossein Bordbar; Leila Shahsavar; Maryam Sadeghipour

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


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

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

Majid Farahmandjou; Farzane Soflaee

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


41. QSAR Study of Arylpyridone Oxime Based on the SVM and Elman Algorithms

Volume 8, Issue 2, Spring 2020, Pages 215-223

Wan Zhong-Yu

QSAR Study of Arylpyridone Oxime Based on the SVM and Elman Algorithms


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

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

Hossein Azizi Toupkanloo; Manoochehr Fathollahi

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


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

Volume 7, Issue 2, Spring 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


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

Volume 3, Issue 4, Autumn 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


47. 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, Summer 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


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

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

Mohammad Izadyar; Mohammad Khavani

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


49. An Improved ISM Equation of State for Polar Fluids

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

Mohammad Hassan Mousazadeh

An Improved ISM Equation of State for Polar Fluids