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Energy decomposition analysis of the intermolecular interaction energy between different gas molecules (H 2, O 2, H 2 O, N 2, CO 2, H 2 S, and CO) and selected Li+-doped graphitic molecules: DF-SAPT (DFT) calculations
Energy decomposition analysis of the intermolecular interaction energy between different gas molecules (H 2, O 2, H 2 O, N 2, CO 2, H 2 S, and CO) and selected Li+-doped graphitic molecules: DF-SAPT (DFT) calculations
Energy decomposition analysis of the intermolecular interaction energy between different gas molecules (H 2, O 2, H 2 O, N 2, CO 2, H 2 S, and CO) and selected Li+-doped graphitic molecules: DF-SAPT (DFT) calculations
Theoretical studies on cyclic peptides
Conference Publications
A DFT study of formaldehyde adsorption on functionalized graphene nanoribbons
Study of Isomery Scheme in Acetyl Hydrazides by DFT Calculations
Armin Hajibaba
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mechanistic studies
A novel Cu-carbon nanotube sheet composite manufactured via the ARB process: A microstructural and mechanical study
Experimental and numerical study of tensile behavior of carbon nanotube reinforced glass-epoxy composite: the multiscale approach
Development of a voltammetric procedure for assay of thebaine at a multi-walled carbon nanotubes electrode quantification and electrochemical studies
Design and synthesis of a novel trinuclear palladium (ii) complex containing an oxime chelate ligand: Determining the interaction mechanism with the DNA groove and BSA site I …
2013 Papars