Equilibrium geometries and electronic structures of a number of hypermolecules formed from X_3Si~+ (X=F,H) and CO or N_2 were calculated with INDO method and energy gradient method.

• 利用INDO法及能量梯度方案计算了X_3Si~+(x=F,H)与CO,N_2小分子形成的“超分子”化合物的平衡几何构型及有关信息。