APPLICABILITY OF EMPIRICAL AND SEMIEMPIRICAL CALCULATION METHODS FOR CONFORMATIONAL ANALYSIS OF 1,3-OCTATHIANES

Authors

  • А. М. Турянская I. I. Mechnikov Odessa State University, Odessa 65000
  • В. В. Кузнецов A. V. Bogatsky Physico-Chemical Institute, National Academy of Sciences of Ukraine, Odessa 65080

Keywords:

1,3-oxathiane, conformational analysis

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.

How to Cite
Turyanskaya, A. M.; Kuznetsov, V. V. Chem. Heterocycl. Compd. 2002, 38, 607. [Khim. Geterotsikl. Soedin. 2002, 692.]

For this article in the English edition, see DOI https://doi.org/10.1023/A:1019525616499

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Published

2002-05-25

Issue

No. 5 (2002)

Section

Original Papers