Zero-field splittings in aromatic triplet states |
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| Authors: | Dr Colin Thomson |
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| Institution: | 1. Department of Chemistry, University of St. Andrews, St. Andrews, Fife, Scotland
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| Abstract: | The zero-field splitting parametersD andE have been calculated for naphthalene using T.B.M. and I. R. M. wave functions, and accurate values of all significant two, three and four centre dipolar interaction integrals. Agreement with experiment is improved in the case ofE, but is less satisfactory forD. |
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