HMO导图分子片与AO系数

HMO Induced Subgrapp's Molecular Fragments and AO Coefficients

本文导出共轭分子 l 重简并()分子轨道 AO 系数与 l-1阶导图分子片对应的本征多项式间的关联公式,并用于求得()分子轨道。

For conjugate molecules,this paper has induced a correlated formula for the AO coefficients of π-MO whose degeneracy is l and the (l-1)-order induced subgraph's molecular fragments,by means of which π-MO of the conjugate molecule can be obtained.