English  |  正體中文  |  简体中文  |  Items with full text/Total items : 62572/95237 (66%)
Visitors : 2544158      Online Users : 92
RC Version 7.0 © Powered By DSPACE, MIT. Enhanced by NTU Library & TKU Library IR team.
Scope Tips:
  • please add "double quotation mark" for query phrases to get precise results
  • please goto advance search for comprehansive author search
  • Adv. Search
    HomeLoginUploadHelpAboutAdminister Goto mobile version
    Please use this identifier to cite or link to this item: https://tkuir.lib.tku.edu.tw/dspace/handle/987654321/25358

    Title: The Exact Icosahedral Symmetry Relations for Atomic Overlaps, Molecular Orbitals and Vibrational Species of C60 Buckyballs
    Authors: 王伯昌;Wang, Bo-cheng;丘應楠;Chiu, Ying-nan
    Contributors: 淡江大學化學學系
    Keywords: Buckminsterfullerene;Buckball;Vibrational Symmetry Species;Atomic Orbit;Molecular Orbit;Computer Adapted Vector Method;Euler Angle Transformation;原子軌道;分子軌道
    Date: 1992-04-01
    Issue Date: 2013-07-29 13:40:31 (UTC+8)
    Publisher: 臺北市:中國化學學會
    Abstract: 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.
    Relation: Journal of the Chinese Chemical Society=中國化學會會誌 39(2), pp.111-115
    DOI: 10.1002/jccs.199200018
    Appears in Collections:[Graduate Institute & Department of Chemistry] Journal Article

    Files in This Item:

    File SizeFormat

    All items in 機構典藏 are protected by copyright, with all rights reserved.

    DSpace Software Copyright © 2002-2004  MIT &  Hewlett-Packard  /   Enhanced by   NTU Library & TKU Library IR teams. Copyright ©   - Feedback