Keywords = density functional theory
Number of Articles: 12
1. Quetiapine Adsorption on the Surface of Boron Nitride Nanocage (B12N12): A Computational Study

Articles in Press, Corrected Proof, Available Online from 11 January 2020

10.22034/ijnc.2020.37794

Mohammad Reza Jalali Sarvestani; Maryam Gholizadeh Arashti; Betty Mohasseb


11. A DFT Study of the Nuclear Magnetic Properties of Fullerenes

Volume 2, Issue 2, Spring 2015, Pages 41-49

10.22034/ijnc.2015.19606

Khadijeh Kalateh; Sara Kheirollahpoor


12. Ethyl Acetylene Adsorption on the Surface of a BN Nanotube: A Computational Study

Volume 1, Issue 2, Spring 2014, Pages 51-59

10.22034/ijnc.2014.9703

Maziar Noei; Ali Moalla; Fatemeh Meshkinnezhad