Open AccessDFT study of geometric isomerization and keto–enol tautomerization of dihydroxyfumaric acid
Author(s) -
Natalia Bolocan,
Gheorghe Duca
Publication year - 2021
Publication title -
studia universitatis babeș-bolyai chemia
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.189
H-Index - 11
eISSN - 2065-9520
pISSN - 1224-7154
DOI - 10.24193/subbchem.2021.4.25
Subject(s) - tautomer , isomerization , chemistry , enol , hydrogen bond , aqueous solution , proton , keto–enol tautomerism , activation energy , basis set , computational chemistry , equilibrium constant , molecule , medicinal chemistry , density functional theory , catalysis , organic chemistry , physics , quantum mechanics
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