Open AccessCONFORMATIONAL ANALYSIS OF THIAZOLE-5-CARBOXYLIC ACID USING DFT/TD-DFT METHODS
Author(s) -
Nihal Kuş
Publication year - 2020
Publication title -
eskişehir technical university journal of science and technology a- applied sciences and engineering
Language(s) - English
Resource type - Journals
ISSN - 2667-4211
DOI - 10.18038/estubtda.820152
Subject(s) - natural bond orbital , chemistry , density functional theory , singlet state , homo/lumo , excited state , computational chemistry , conformational isomerism , oscillator strength , carboxylic acid , atomic orbital , molecular orbital , potential energy surface , thiazole , crystallography , ab initio , molecule , atomic physics , stereochemistry , physics , organic chemistry , spectral line , quantum mechanics , astronomy , electron