Keywords = Density functional theory
Number of Articles: 5
1. A DFT studies on a potential anode compound for Li-ion batteries: Hexa-cata-hexabenzocoronene nanographen

Articles in Press, Accepted Manuscript, Available Online from 30 October 2020

10.22034/crl.2020.187273.1087

Behlol Hashemzadeh; Laden Edjlali; Parvaneh Delir Kheirollahi Nezhad; Esmail Vessally


2. In Silico Adsorption of Lomustin anticancer drug on the surface of Boron Nitride nanotube

Volume 4, Issue 3, Spring 2021, Pages 178-184

10.22034/crl.2021.290865.1111

maryam afshar; Roya Ranjineh khojasteh; Roya Ahmadi; Mahboobeh Nakhaei Moghaddam