Relation between antioxidant activity and electronic structure of Phenols

Artigo

Fecha

2003-11-05

Registro en:

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

9457018963105073

http://repositorioslatinoamericanos.uchile.cl/handle/2250/3904586

Autor

Universidade Estadual Paulista (Unesp)

Institución

Universidade Paulista Júlio de Mesquita Filho (Brasil)

Resumen

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.

Materias

electronic indices

antioxidant

free radical

phenols

structure-activity relationships

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