| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5391973 | Chemical Physics Letters | 2006 | 6 Pages |
Abstract
B3LYP/6-311++G(2d,2p) 6d ionization potentials and O-H bond dissociation energies of natural cinnamic acids are consistent with an important antioxidant activity. QTAIM analysis is applied to study substitution effects, ionization processes, and charge delocalization in these compounds.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
MarÃa J. González Moa, Marcos Mandado, Ricardo A. Mosquera,