Keywords = density functional theory
Number of Articles: 4
2. Relaxations of methylpyridinone tautomers at the C60 surfaces: DFT studies

Volume 8, Issue 2, Spring 2017, Pages 124-131

10.22034/ijnd.2017.24878

Elahe Naderi; Mahmoud Mirzaei; Lotfollah Saghaie; Ghadamali Khodarahmi; Oguz Gulseren


3. DFT/NBO analysis of interaction between a CNT and anti-cancer drugs

Volume 6, Issue 5, Autumn 2015, Pages 479-486

DOI: 10.7508/ijnd.2015.05.005

N. Dalili Mansour; F. Mahboubi; N. Nahrjou