TOPOLOGICAL STUDIES ON HETEROCONJUGATED MOLECULES - ALTERNANT SYSTEMS WITH ONE HETEROATOM

被引：40

作者：

GUTMAN, I

机构：

[1] Department of Chemistry, Faculty of Sciences, University of Kragujevac, Kragujevac, 34000

来源：

THEORETICA CHIMICA ACTA | 1979年 / 50卷 / 04期

关键词：

Graph theory; Heteroconjugated molecules;

D O I：

10.1007/BF00551336

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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. © 1979 Springer-Verlag.

引用

页码：287 / 297

页数：11

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