A DFT and QSAR study of the role of hydroxyl group, charge and unpaired-electron distribution in anthocyanidin radical stabilization and antioxidant activity
Sign Up to like & getrecommendations! Published in 2017 at "Medicinal Chemistry Research"
DOI: 10.1007/s00044-017-1964-0
Abstract: Density function theory study was conducted to examine the structure, planarity, and charge and unpaired electron delocalization of some anthocyanidins and monohydroxy flavylium ions as well as all their possible phenoxyl radicals. Bond dissociation energy… read more here.
Keywords: stabilization; bond; charge unpaired; unpaired electron ... See more keywords