Relation between antioxidant activity and electronic structure of Phenols
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Undergraduate course
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Wiley-Blackwell
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Wiley
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Article
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Acesso restrito
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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.
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English
Citation
International Journal of Quantum Chemistry. Hoboken: John Wiley & Sons Inc., v. 95, n. 3, p. 219-223, 2003.
