Some Curcumin Isomers and Their Enol Tautomers - A DFT Treatment
Open Access
- 10 August 2020
- journal article
- Published by Earthline Publishers in Earthline Journal of Chemical Sciences
- Vol. 4 (2), 183-197
- https://doi.org/10.34198/ejcs.4220.183197
Abstract
Curcumin is a well known natural product having some health benefits. In the present study, within the constraints of density functional theory (at the level of B3LYP/6-31G(d,p)), some configurational isomers of curcumin and their keto-enol tautomers have been investigated. Some quantum chemical, QSAR and spectral data of them have been obtained and discussed.Keywords
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