GRAPH THEORETICAL BASIS FOR ORDERING OF STRUCTURES

被引：82

作者：

RANDIC, M

WILKINS, CL

机构：

[1] Department of Chemistry, University of Nebraska-Lincoln, Lincoln

来源：

CHEMICAL PHYSICS LETTERS | 1979年 / 63卷 / 02期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1016/0009-2614(79)87030-X

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：

Algebraic aspects of ordering of structures are examined. By using paths as the graph theoretical invariants, sequences which enumerate paths of differnet length and characterize individual molecules are derived. A rule for ordering such sequences is proposed. The partial ordering thus derived can be used for prediction of the relative magnitudes of various molecular properties of isomers. © 1979.

引用

页码：332 / 336

页数：5

共 21 条

[1] ZUR BERECHNUNG DES RADIUS VERZWEIGTER MOLEKULE [J].