高等学校化学学报 ›› 1989, Vol. 10 ›› Issue (5): 495.

• 研究论文 • 上一篇    下一篇

对称性轨道的构造

赵明   

  1. 湖南师范大学化学系
  • 收稿日期:1987-11-04 出版日期:1989-05-24 发布日期:1989-05-24

The Construction for Symmetry Orbitals

Zhao Ming   

  1. Department of Chemistry, Hunan Normal University, Changsha
  • Received:1987-11-04 Online:1989-05-24 Published:1989-05-24

摘要: 提出1种以配体轨道的旋转性质为基础,并利用群生成元表示矩阵来构造对称性轨道的新方法。讨论了对称性系数之间的相互关系,同时给出群重迭积分的计算过程。

关键词: 多面体, 对称性轨道, 群重迭积分

Abstract: Anew method for building up symmetry orbitals is presented on the bases of the rotational property of ligand orbitals and the representation matrices for point group generators. The relationship between the symmetry coefficients together with the calculation of group overlap integrals is discussed in detail.

Key words: Polyhedron, Symmetry orbital, Group overlap integral

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