本文以“群重叠法”为基础,探讨了多面体分子成键规律,提出多面体分子轨道成键判据和单粒子算子作用能矩阵元闭合式,论证了三角面的稳定性和Wade规则及其四面体例外。 Based on “group overlap method ”, this paper discusses the molecular bonding rules of polyhedron, proposes polyhedral molecular orbital bonding criterion and the function of single particle operator can be closed matrix elements, demonstrates the stability of the triangular surface and Wade rules And its tetrahedron exception.