Keywords = density functional theory
Number of Articles: 7
5. Electronic Structure Investigation of Octahedral Complex and Nano ring by NBO Analysis: An EPR Study

Volume 4, Issue 2, Summer 2015, Pages 93-100

M. Khaleghian; F. Azarakhshi; G.R. Ghshami


6. A Theoretical Study of H2S and CO2 Interaction with the Single-Walled Nitrogen Doped Carbon Nanotubes

Volume 4, Issue 1, Spring 2015, Pages 39-48

M. Oftadeh; M. Rezaeisadat; A. Rashidi