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A simple procedure for estimating changes in the nuclear configuration of molecules in the excited ππ*-electronic state

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Abstract

A simple procedure is suggested for estimating changes in the bond lengths q and angles a between them in the excited ππ states of molecules avoiding calculations of molecular vibrations. The distances q and the angles a are estimated for the triplet state B1u (ππ*) of the tetm-β-chlomdioxin molecule.

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Authors and Affiliations

  1. L. Ya. Karpov Physicochemical Research Institute, Moscow

    E. A. Gastilovich, N. V. Korolkova & V. G. Klimenko

Authors
  1. E. A. Gastilovich
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  2. N. V. Korolkova
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  3. V. G. Klimenko
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Additional information

Translated from Zhumal Struktumoi Khimii, Vol. 41, No. 1, pp. 149-156, January–February, 2000.

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Gastilovich, E.A., Korolkova, N.V. & Klimenko, V.G. A simple procedure for estimating changes in the nuclear configuration of molecules in the excited ππ*-electronic state. J Struct Chem 41, 123–128 (2000). https://doi.org/10.1007/BF02684737

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  • DOI: https://doi.org/10.1007/BF02684737

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