Relation between antioxidant activity and electronic structure of Phenols

Lavarda, Francisco Carlos

Please use this identifier to cite or link to this item: http://acervodigital.unesp.br/handle/11449/31930

Title:

Relation between antioxidant activity and electronic structure of Phenols

Author(s):

Lavarda, Francisco Carlos

Institution:

Universidade Estadual Paulista (UNESP)

ISSN:

0020-7608

Abstract:

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.

Issue Date:

5-Nov-2003

Citation:

International Journal of Quantum Chemistry. Hoboken: John Wiley & Sons Inc., v. 95, n. 3, p. 219-223, 2003.

Time Duration:

219-223

Publisher:

Wiley-Blackwell

Keywords:

electronic indices
antioxidant
free radical
phenols
structure-activity relationships

Source:

http://dx.doi.org/10.1002/qua.10692

URI:

Access Rights:

Acesso restrito

Type:

outro

Source:

http://repositorio.unesp.br/handle/11449/31930

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