MOLECULAR-DISTORTION ANALYSIS WITH CARTESIAN SYMMETRY COORDINATES

被引：9

作者：

CAMMI, R

CAVALLI, E

机构：

来源：

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE | 1992年 / 48卷

关键词：

D O I：

10.1107/S0108768191014386

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A general method for the analysis of molecular distortion using Cartesian symmetry coordinates is proposed. The method is characterized by explicit definition of the spatial disposition of the reference structure and by the use of 3N-6(5) symmetry coordinates which represent real modifications of the molecular structure, thus avoiding problems of redundancy. The method is applied to ML4 (T(d)) and ML6 (O(h)) type molecules.

引用

页码：245 / 252

页数：8

共 14 条

[1] GEOMETRY OF POLYHEDRAL DISTORTIONS - PREDICTIVE RELATIONSHIPS FOR PHOSPHATE GROUP [J].