Open AccessStructures, Energetics, and Spectra of (NH) and (OH) Tautomers of 2-(2-Hydroxyphenyl)-1-azaazulene: A Density Functional Theory/Time-Dependent Density Functional Theory Study
Author(s) -
Asmaa B. El-Meligy,
Safinaz H. ElDemerdash,
Mohamed A. Abdel-Rahman,
Mohamed A. M. Mahmoud,
Tetsuya Taketsugu,
Ahmed M. ElNahas
Publication year - 2022
Publication title -
acs omega
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.779
H-Index - 40
ISSN - 2470-1343
DOI - 10.1021/acsomega.2c00866
Subject(s) - time dependent density functional theory , tautomer , density functional theory , chemistry , solvation , computational chemistry , enol , acetonitrile , implicit solvation , molecule , stereochemistry , organic chemistry , catalysis
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