Main Subjects = Quantum Chemistry
Cooperative and Diminutive Interplay between Halogen, Hydride and Cation-σ Interactions

Volume 4, Issue 4, December 2016, Pages 583-589

Mohammad Solimannejad; Seyyedeh Marziyeh Hosseini; Abedin Zebardasti

Cooperative and Diminutive Interplay between Halogen, Hydride and Cation-σ Interactions


Microsolvation of NO2+ in Helium: An Ab Initio Study on NO2+-Hen Clusters (n ≤ 7)

Volume 4, Issue 1, March 2016, Pages 109-117

Mohammad Solimannejad; Fatemeh Mohammadian; Mehdi D Esrafili

Microsolvation of NO2+ in Helium: An Ab Initio Study on NO2+-Hen Clusters (n ≤ 7)


Thermodynamic properties of polarized liquid 3He along different isentropic paths

Volume 2, Issue 2, December 2014, Pages 217-228

Gholam Hossein Bordbar; S. Hosseini

Thermodynamic properties of polarized liquid 3He along different isentropic paths


Materials Based on Carbazole for Organic Solar Cells Applications. Theoretical Investigations

Volume 2, Issue 2, December 2014, Pages 244-251

Mohammed Bouachrine; Fatima AGDA; Mostapha TALEB; Tayeb ABRAM

Materials Based on Carbazole for Organic Solar Cells Applications. Theoretical Investigations


Calculation of Thermodynamic Properties of the Quasi-one Dimensional Liquid 3He at Finite Temperature

Volume 2, Issue 2, December 2014, Pages 252-259

Gholam Hossein Bordbar; M. A. Rastkhadiv

Calculation of Thermodynamic Properties of the Quasi-one Dimensional Liquid 3He at Finite Temperature


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


Conformational analysis of N- and C-terminally protected tripeptide model glycyl-isoleucine-glycyl: An ab initio and DFT study

Volume 2, Issue 1, June 2014, Pages 68-75

Behzad Chahkandi; Mohammad Chahkandi; Bentolhoda Ashrafi

Conformational analysis of N- and C-terminally protected tripeptide model glycyl-isoleucine-glycyl: An ab initio and DFT study


Thermodynamic properties of the ionized gas 3He

Volume 2, Issue 1, June 2014, Pages 90-95

Gholam Hossein Bordbar; N. Mashayekhizadeh

Thermodynamic properties of the ionized gas 3He