Volume 8 (2023)
Volume 7 (2022)
Volume 6 (2021)
Volume 5 (2020)
Volume 4 (2019)
Volume 3 (2018)
Volume 2 (2017)
Volume 1 (2016)
Keywords = DFT
Number of Articles: 5
The Al2O3-monolayer sensitivity towards NH3 and PH3 molecule: A DFT Study
Volume 8, Issue 1, February 2023, Pages 34-40
Interaction of Crizotinib (as an anti lung cancer drug) on Pure, Boron-Doped, and Carboxylated C60 Fullerene: Based on Density Functional Theory
Volume 5, Issue 4, October 2020, Pages 369-377
Trinitroanisole Adsorption on the Surface of Boron Nitride Nanocluster (B12N12): A Computational Study
Volume 5, Issue 1, January 2020, Pages 34-44
The adsorption of sulfur dioxide and ozone molecules on boron nitride nanotubes: A DFT study
Volume 4, Issue 2, April 2019, Pages 147-156
Study of Adsorption of H2 and CO2 on Distorted Structure of MOF-5 Framework; A Comprehensive DFT Study
Volume 3, Issue 1, January 2018, Pages 70-80