Author:
Doust Mohammadi Mohsen,Abdullah Hewa Y.,Kalamse Vijayanand,Chaudhari Ajay
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference69 articles.
1. The adsorption of chlorofluoromethane on pristine and Ge-doped silicon carbide nanotube: a PBC-DFT, NBO, and QTAIM study;Mohammadi;Mol. Simul.,2020
2. The adsorption of bromochlorodifluoromethane on pristine and Ge-doped silicon carbide nanotube: a PBC-DFT, NBO, and QTAIM study;Doust Mohammadi;Struct. Chem.,2021
3. Ab initio investigation for the adsorption of acrolein onto the surface of C60, C59Si, and C59Ge: NBO, QTAIM, and NCI analyses;Doust Mohammadi;Struct. Chem.,2022
4. Intermolecular interactions between serine and C60, C59Si, and C59Ge: a DFT study;Doust Mohammadi;Silicon,2021
5. The adsorption of bromochlorodifluoromethane on pristine, Al, Ga, P, and As-doped boron nitride nanotubes: a study involving PBC-DFT, NBO analysis, and QTAIM;Mohammadi;Comput. Theor. Chem.,2021
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