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Topological studies on heteroconjugated molecules

Alternant systems with one heteroatom

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Abstract

A graph-theoretical analysis of certain π-electron properties of alternant molecules with one heteroatom is given. Topological formulas for total π-electron energy, π-electron charge density, bond order and various polarizabilities are derived. The main results of the paper are summarized in Rules 1-7.

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Authors and Affiliations

  1. Department of Chemistry, Faculty of Sciences, University of Kragujevac, P.O. Box60, 34000, Kragujevac, Yugoslavia

    Ivan Gutman

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  1. Ivan Gutman
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Gutman, I. Topological studies on heteroconjugated molecules. Theoret. Chim. Acta 50, 287–297 (1979). https://doi.org/10.1007/BF00551336

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  • DOI: https://doi.org/10.1007/BF00551336

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