- 作者: 王伯昌 ; 丘應楠
- 作者服務機構: 淡江大學化學系
- 中文摘要: A computer adapted vector method and Euler angle transformation procedures are used to generate the relationship between the atomic orbitals of icosahedral C/sub 60/ Buckminsterfullerene cluster and to produce symmetry adapted molecular orbitals and vibrational species. The atomic overlaps based on the orientational relationship of the orbitals are used to compute the approximate molecular orbital energies and normalization constants. One of the vibrations of A/sub u/, symmetry is used to interpret the isomeric (dyotropic) rearrangement that breaks and forms two bonds to change two pentagons to two hexagons and vice versa.
- 英文摘要: --
- 中文關鍵字: Buckminsterfullerene; Buckball; Vibrational Symmetry Species; Atomic Orbit; Molecular Orbit; Computer Adapted Vector Method; Euler Angle Transformation
- 英文關鍵字: 原子軌道;分子軌道