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Applicability of Empirical and Semiempirical Calculation Methods for Conformational Analysis of 1,3-Octathianes

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Chemistry of Heterocyclic Compounds Aims and scope

Abstract

We have analyzed the advantages and disadvantages of using empirical and semiempirical approximations in calculations of the optimal geometry and energy of conformational conversions of molecules in the 1,3-oxathiane series.

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Authors and Affiliations

  1. I. I. Mechnikov Odessa State University, Odessa, 65000, Ukraine

    A. M. Turyanskaya

  2. National Academy of Sciences of Ukraine, A. V. Bogatsky Physico-Chemical Institute, Odessa, 65080, Ukraine

    V. V. Kuznetsov

Authors
  1. A. M. Turyanskaya
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  2. V. V. Kuznetsov
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Turyanskaya, A.M., Kuznetsov, V.V. Applicability of Empirical and Semiempirical Calculation Methods for Conformational Analysis of 1,3-Octathianes. Chemistry of Heterocyclic Compounds 38, 607–611 (2002). https://doi.org/10.1023/A:1019525616499

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