教師資料查詢 | 類別: 期刊論文 | 教師: 王伯昌 WANG, BO-CHENG (瀏覽個人網頁)

標題:Symmetry analysis of the electronic structure of polyhedron clusters M12 (O) and M60(Ih)
學年79
學期2
出版(發表)日期1991/06/20
作品名稱Symmetry analysis of the electronic structure of polyhedron clusters M12 (O) and M60(Ih)
作品名稱(其他語言)
著者Wang, Bo-cheng; Chiu, Ying-Nan
單位淡江大學化學學系
出版者Amsterdam: Elsevier BV
著錄名稱、卷期、頁數Journal of Molecular Structure: Theochem 231, pp.1-20
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.
關鍵字
語言英文
ISSN0166-1280;1872-8014
期刊性質國外
收錄於
產學合作
通訊作者
審稿制度
國別荷蘭
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出版型式紙本
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