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Topological studies on heteroconjugated molecules
Authors:Ivan Gutman
Institution:(1) Department of Chemistry, Faculty of Sciences, University of Kragujevac, P.O. Box60, 34000 Kragujevac, Yugoslavia
Abstract:A graph-theoretical analysis of certain pgr-electron properties of alternant molecules with one heteroatom is given. Topological formulas for total pgr-electron energy, pgr-electron charge density, bond order and various polarizabilities are derived. The main results of the paper are summarized in Rules 1-7.
Keywords:Graph theory  Heteroconjugated molecules
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