分子点群的确定与典型分子点群显示系统设计

The System Design for the Ascertainment of Molecular Point Groups and Showing of Typical Molecular Figure

基于分子点群判别的系统方法和步骤 ,以 MATLAB语言设计了分子点群判别的计算机程序和典型分子点群中旋转、反映、反演、移动操作的计算机模拟操作 。

A computer program for the distinguishing molecular point groups and showing the figure of typical molecular point groups was designed in MATLAB language according to the rule distinguishing molecular point groups.The operations of revolving,reflecting,imaging and moving were also realized for distinguishing the molecular point groups.The present work can be further expanded to the applications of computer in the quantum chemistry and establishment of quantum chemistry calculator toolbox.