Quantum mechanical evaluation of the ano
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I. Vedernikova; J. P. Tollenaere; A. Haemers
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Article
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1999
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John Wiley and Sons
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English
β 126 KB
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The electronic structures of a series of phenols, phenoxyl cation radicals and phenoxyl radicals were calculated by the AM1 method. On the basis of the presumed electrochemical reaction, the electronic structure criteria determining the antioxidant activity are discussed. Ionization potentials, abso