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Issue 9, 1999
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Can aromaticity be described with a single parameter? Benzene vs. cyclohexatriene

Abstract

The problem of magnetic vs. geometric criteria of aromaticity is approached using NICS/GIAO/B3LYP/6-31G* calculations on benzene and distorted benzenes, the conclusion being that a relationship exists between these criteria but only for specific subsets.

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Article type: Paper
DOI: 10.1039/A904537F
Citation: New J. Chem., 1999,23, 951-954
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    Can aromaticity be described with a single parameter? Benzene vs. cyclohexatriene

    I. Alkorta and J. Elguero, New J. Chem., 1999, 23, 951
    DOI: 10.1039/A904537F

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