Keywords = DFT
Number of Articles: 6
1. Procarbazine adsorption on the surface of single walled carbon nanotube: DFT studies

Volume 3, Issue 4, Autumn 2020, Pages 175-179

10.22034/crl.2020.233419.1062

Mohammad Reza Jalali Sarvestani; Roya Ahmadi; Behnam Farhang Rik


2. Boron nitride nanocone as an adsorbent and senor for Ampicillin: A Computational Study

Volume 3, Issue 3, Spring 2020, Pages 110-116

10.22034/crl.2020.233274.1061

Zohreh Doroudi; Mohammad Reza Jalali Sarvestani


5. Thermodynamics and kinetics of 1-fluoro-2-methoxypropane vs Bromine monoxide radical (BrO): A computational view

Volume 2, Issue 3, Autumn 2019, Pages 107-117

10.22034/crl.2019.185789.1013

Rufai Abubakar Mohammed; Uzairu Adamu; Uba Sani; Shallangwa Adamu Gideon; Azeh Yakub

Thermodynamics and kinetics of 1-fluoro-2-methoxypropane vs Bromine monoxide radical (BrO): A computational view


6. Study of the Ionization Potential, Electron Affinity and HOMO-LUMO Gaps in the Smal Fullerene Nanostructures

Volume 1, Issue 2, Autumn 2018, Pages 45-48

10.22034/crl.2018.85215

Musa Heidari Nezhad Janjanpour; Mahshad Vakili; Shahla Daneshmehr; Khodadad Jalalierad; Fatemeh Alipour

Study of the Ionization Potential, Electron Affinity and HOMO-LUMO Gaps in the Smal Fullerene Nanostructures