COMPUTER PERCEPTION OF MOLECULAR SYMMETRY

被引：11

作者：

BALASUBRAMANIAN, K

机构：

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

来源：

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES | 1995年 / 35卷 / 04期

关键词：

D O I：

10.1021/ci00026a015

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A computer code and algorithm are developed for the computer perception of molecular symmetry. The code generates and uses the Euclidian distance matrices of molecular structures to generate the permutation-inversion group of the molecule. The permutation-inversion group is constructed as the automorphism group of the Euclidian distance matrix. Applications to several molecular structures and fullerenes such as the C-60 buckminsterfullerene and C-28 and C-24 fullerenes are considered.

引用

收藏

页码：761 / 770

页数：10

相关论文

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