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    题名: Symmetry analysis of the electronic structure of polyhedron clusters M12 (O) and M60(Ih)
    作者: Wang, Bo-cheng;Chiu, Ying-Nan
    贡献者: 淡江大學化學學系
    日期: 1991-06-20
    上传时间: 2009-12-01
    出版者: Amsterdam: Elsevier BV
    摘要: Computer programs are written to generate symmetry-adapted molecular orbitals and exact geometric relationships for atomic overlap integrals for polyhedral clusters with many vertices: M12(cuboctahedron, Oh), M12(icosahedron, Ih) and M60(icosahedron, Ih). In these clusters M may be boron, carbon or transition metal atoms and the atomic orbitals involved may be s, p or d orbitais. Explicit molecular orbitais (including normalization constants) and their energies in Mulliken-Wolfsberg-Hehmholz approximations are given.
    關聯: Journal of Molecular Structure: Theochem 231, pp.1-20
    DOI: 10.1016/0166-1280(91)85198-G
    显示于类别:[化學學系暨研究所] 期刊論文

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