GRAPH-THEORETICAL PERCEPTION OF MOLECULAR SYMMETRY

被引：58

作者：

BALASUBRAMANIAN, K

机构：

[1] Department of Chemistry and Biochemistry, Arizona State University, Tempe

来源：

CHEMICAL PHYSICS LETTERS | 1995年 / 232卷 / 5-6期

关键词：

D O I：

10.1016/0009-2614(94)01382-6

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：

It is shown that the molecular symmetry groups can be obtained as the automorphism groups of edge-weighted Euclidean graphs. Graph theory provides an elegant and natural representation of molecular symmetry. The resulting group expressed in terms of permutations is isomorphic to the permutation-inversion group of Longuet-Higgins or the permutational subgroup in case inversion operations do not generate new permutations.

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页码：415 / 423

页数：9

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