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:The Exact Icosahedral Symmetry Relations for Atomic Overlaps, Molecular Orbitals and Vibrational Species of C60 Buckyballs
學年80
學期2
出版(發表)日期1992/04/01
作品名稱The Exact Icosahedral Symmetry Relations for Atomic Overlaps, Molecular Orbitals and Vibrational Species of C60 Buckyballs
作品名稱(其他語言)
著者王伯昌; Wang, Bo-cheng;丘應楠; Chiu, Ying-nan
單位淡江大學化學學系
出版者臺北市中國化學學會
著錄名稱、卷期、頁數Journal of the Chinese Chemical Society=中國化學會會誌 39(2), pp.111-115
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.
關鍵字
語言英文
ISSN0009-4536
期刊性質國內
收錄於SCI;
產學合作
通訊作者
審稿制度
國別中華民國
公開徵稿
出版型式,電子版,紙本
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