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Stereochemical analysis by simplex representation of molecules

  • Proceedings Of The 13th Seminar On Intermolecular Interactions And Conformations Of Molecules
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Abstract

Stereoanalysis of molecules by partitioning a spatial structure into a system of simplices is described in detail. Potentialities of simplex representation of molecules in defining stereochemistry are demonstrated for chiral structures of various complexity and planar unsaturated molecules (“two-dimensional stereochemistry”). A concept of “stereochemical charge” is introduced.

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Authors
  1. V. E. Kuzmin
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  2. V. A. Chelombitko
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  3. I. V. Yudanova
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  4. I. B. Stelmakh
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  5. I. S. Rublev
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Additional information

A. V. Bogatskii Physicochemical Institute, Ukrainian Academy of Sciences. Odessa State University. Translated fromZhurnal Strukturnoi Khimii, Vol. 39, No. 3, pp. 553–558, May–June, 1998.

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Kuzmin, V.E., Chelombitko, V.A., Yudanova, I.V. et al. Stereochemical analysis by simplex representation of molecules. J Struct Chem 39, 452–456 (1998). https://doi.org/10.1007/BF02873658

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  • DOI: https://doi.org/10.1007/BF02873658

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