高等学校化学学报 ›› 1987, Vol. 8 ›› Issue (10): 927.

• 论文 • 上一篇    下一篇

本征多项式系数与分子片的拓扑联系

赵洪刚1, 陈连山1, 杨开海1, 曹阳2   

  1. 1. 辽宁师范大学化学系;
    2. 苏州大学化学系
  • 收稿日期:1986-04-09 出版日期:1987-10-24 发布日期:1987-10-24

The Topological Connection of the Coefficients of the Characteristic Polynomial and the Molecular Fragments

Zhao Honggang1, Chen Lianshan1, Yang Kaihai1, Cao Yang2   

  1. 1. Department of Chemistry, Liaoning Teachers University, Dalian;
    2. Department of Chemistry, Suzhou University, Suzhou
  • Received:1986-04-09 Online:1987-10-24 Published:1987-10-24

摘要: 本文推导出本征多项式系数αN-k与分子图的k阶导图分子片对应的本征多项式零次项系数相关联的公式。由此可以求出αN-k,并揭示出导图分子片对分子稳定性和反应性的贡献。

Abstract: In this paper, we have induced a connected formula of the coefficients αN-kof the characteristic polynomial and the zeroorder term's coefficient of the characteristic polynomail corresponding the K-order induced subgraph's molecular fragments. From this, we can evaluate αN-kand brought to light the contribution of the induced subgraph's molecular fragments for the molecular's stability and activity.

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