| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5394622 | Computational and Theoretical Chemistry | 2012 | 12 Pages |
Abstract
⺠Gas-phase B3LYP/6-311++G** study of eight flavonoids. ⺠Investigation of three mechanisms of phenolic antioxidants action. ⺠Calculation of reaction enthalpies for homolytic and heterolytic OH bond cleavage. ⺠Structural effects on BDE, IP, PDE, PA and ETE evaluated.
Related Topics
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Authors
Adam Vagánek, Ján RimarÄÃk, VladimÃr LukeÅ¡, Erik Klein,