Relation between antioxidant activity and electronic structure of Phenols
| Contribuinte(s) |
Universidade Estadual Paulista (UNESP) |
|---|---|
| Data(s) |
20/05/2014
20/05/2014
05/11/2003
|
| Resumo |
We describe a new physicochemical descriptor of the antioxidant activity of phenols, the energy difference between the two highest occupied molecular orbitals, which we believe will improve quantitative structure-activity relationship studies about these compounds. (C) 2003 Wiley Periodicals, Inc. |
| Formato |
219-223 |
| Identificador |
http://dx.doi.org/10.1002/qua.10692 International Journal of Quantum Chemistry. Hoboken: John Wiley & Sons Inc., v. 95, n. 3, p. 219-223, 2003. 0020-7608 http://hdl.handle.net/11449/31930 10.1002/qua.10692 WOS:000185697100003 |
| Idioma(s) |
eng |
| Publicador |
Wiley-Blackwell |
| Relação |
International Journal of Quantum Chemistry |
| Direitos |
closedAccess |
| Palavras-Chave | #electronic indices #antioxidant #free radical #phenols #structure-activity relationships |
| Tipo |
info:eu-repo/semantics/article |
