List of Articles DFT Open Access Article Abstract Page Full-Text 1 - Investigation of chemical adsorption of CO, CO2, [12 and NO molecules on inside and outside of single-wall nanotube using HF and DET calculations M. Keshavarz M. Beheshti Open Access Article Abstract Page Full-Text 2 - A Study of the adsorption of CO on cobalt nanostructures: Cubic and hexagonal crystalline phases Fatemeh Dolati ali nakhaeipoura vahidreza darugar zohre Dolati vagehe afkhamy Open Access Article Abstract Page Full-Text 3 - Effects of pivalate ligand substitutions on the electronic properties of chromium-wheels host complexes; A molecular modelling study. motahare sadeghi googheri Open Access Article Abstract Page Full-Text 4 - The use of DFT computational method to study the effect of physical factors on the pH range of color change of Azo indicator: Methyl red and Methyl Orange ahdieh Sadeghpour Farzaneh Zanjanchi Open Access Article Abstract Page Full-Text 5 - DFT study of Molecular structure, and optical properties of charge transfer complexes derived from Tetrathiafulualene and Tetracyanoquinodimethane derivatives Vahideh Hadigheh-Rezvan Open Access Article Abstract Page Full-Text 6 - Density Functional Theory studies of heterocyclic compounds furan and pyrrole Leili Rahimi Zahra Javanshir Open Access Article Abstract Page Full-Text 7 - DFT comparison of structural and electronic properties of (5, 0) zig-zag GaAs nanotube and (5, 0) zig-zag GaSb nanotube Monir Kamalian 10.22034/jna.2021.681543 Open Access Article Abstract Page Full-Text 8 - Structural and electronical studies of asymmetric tetradentate Schiff base ligands and their Ni(II) and Cu(II) complexes using density functional theory Nooshin Keshtkar Alison Zamanpour Sheida Esmaielzadeh
