Keywords = density functional theory
Number of Articles: 4
1. Exploration of the adsorption of caffein molecule on the TiO2 nanostructures: A density functional theory study

Articles in Press, Accepted Manuscript, Available Online from 17 July 2018

10.22034/jna.2018.561204.1072

Amirali Abbasi; Jaber Jahanbin Sardroodi


4. Adsorption of Vitamin C on a Fullerene Surface: DFT Studies

Volume 4, Issue 1, Winter 2017, Pages 1-7

10.22034/jna.2017.01.001

Rezvan Baniasadi; Kun Harismah; Maryam Sadeghi; Mahmoud Mirzaei