Acta Chimica Sinica ›› 1995, Vol. 53 ›› Issue (10): 942-946. Previous Articles     Next Articles

Original Articles

具有Oh对称性的C32和C32H32结构和稳定性研究

顾凤龙;李前树;唐敖庆   

  1. 吉林大学理论化学研究所;吉林大学理论化学计算国家重点实验室
  • 发布日期:1995-10-15

Study on the structure and stability of C32 and C32H32 with oh symmetry

GU FENGLONG;LI QIANSHU;TANG AOQING   

  • Published:1995-10-15

The structure of C32 and C32H32 with Oh symmetry has been investigated by using ab initio calculations at the STO-3G level. The relationship of molecular orbitals between them has been analyzed. Especially, we have discussed the stability of C32H32 and pointed out that it is a potential polyhedron hydrocarbon.

Key words: STABILITY, MOLECULAR ORBIT, AB INITIO CALCULATION

CLC Number: