Symmetry analysis of the electronic structure of polyhedron clusters M12 (O) and M60(Ih)

淡江大學機構典藏 > 理學院 > 化學學系暨研究所 > 期刊論文 > Item 987654321/25279

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題名:	Symmetry analysis of the electronic structure of polyhedron clusters M12 (O) and M60(Ih)
作者:	Wang, Bo-cheng;Chiu, Ying-Nan
貢獻者:	淡江大學化學學系
日期:	1991-06-20
上傳時間:	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
顯示於類別:	[化學學系暨研究所] 期刊論文

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