Natural polyprenylated benzophenone: keto-enol tautomerism from density functional calculations and the AIM theory
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-017-3251-x
Abstract: The quantum theory of atoms in molecules (QTAIM) and density functional theory (DFT) calculations were employed to investigate the structure and tautomeric equilibrium of epiclusianone, a polyisoprenylated benzophenone with interesting biological activities. Two different exchange-correlation… read more here.
Keywords: density functional; keto enol; density; polyprenylated benzophenone ... See more keywords