Acta Chimica Sinica ›› 1983, Vol. 41 ›› Issue (1): 16-25. Previous Articles     Next Articles

Original Articles

关于含杂HMO中参数h,k的研究

张启元;严继民   

  1. 中国科学院化学研究所
  • 出版日期:1983-01-15 发布日期:1983-01-15

Study on the heteroatom parameters h and k in HMO.

ZHANG QIYUAN;YAN JIMIN   

  • Online:1983-01-15 Published:1983-01-15

In the present paper, the HMO calculation with the parameters h and k for the three isomeric disubstituted benzenes (see Fig. 1, all figures and equations are shown in the Chinese Text.) was performed in a wide range in order to assess whether a common set of h and k exists.

Key words: CALCULATION, PARAMETER, MOLECULAR ORBITAL THEORY, CONJUGATE, HUCKEL MOLECULAR ORBITAL

CLC Number: