淡江大學機構典藏:Item 987654321/25279
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    Please use this identifier to cite or link to this item: https://tkuir.lib.tku.edu.tw/dspace/handle/987654321/25279


    Title: Symmetry analysis of the electronic structure of polyhedron clusters M12 (O) and M60(Ih)
    Authors: Wang, Bo-cheng;Chiu, Ying-Nan
    Contributors: 淡江大學化學學系
    Date: 1991-06-20
    Issue Date: 2009-12-01
    Publisher: Amsterdam: Elsevier BV
    Abstract: 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.
    Relation: Journal of Molecular Structure: Theochem 231, pp.1-20
    DOI: 10.1016/0166-1280(91)85198-G
    Appears in Collections:[Graduate Institute & Department of Chemistry] Journal Article

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