English  |  正體中文  |  简体中文  |  全文笔数/总笔数 : 55217/89514 (62%)
造访人次 : 10718856      在线人数 : 21
RC Version 7.0 © Powered By DSPACE, MIT. Enhanced by NTU Library & TKU Library IR team.
搜寻范围 查询小技巧:
  • 您可在西文检索词汇前后加上"双引号",以获取较精准的检索结果
  • 若欲以作者姓名搜寻,建议至进阶搜寻限定作者字段,可获得较完整数据
  • 进阶搜寻


    jsp.display-item.identifier=請使用永久網址來引用或連結此文件: http://tkuir.lib.tku.edu.tw:8080/dspace/handle/987654321/25323


    题名: A semiempirical study of C24N4 and its boron-nitrogen analogs
    作者: 王伯昌;Wang, Bo-cheng;余良杰;Yu, Liang-jye;王文竹;Wang, Wen-jwu
    贡献者: 淡江大學化學學系
    日期: 1996
    上传时间: 2009-12-01
    出版者: Hoboken: John Wiley & Sons, Inc.
    摘要: The results of semiempirical calculations on the heterofullerence C24N4 and its boron-nitrogen analogs B6N10C12 (the smallest CBN ball) are presented in accordance with considerations of chemical bondings and geometries. The structures and relative properties of the 28-atom cages, C28, C24N4, and B6N10C12, were investigated using semiempirical methods contained in the MOPAC program. C24N4 and B6N10C12 have Td and C3 symmetry, respectively. B6N10C12 has four geometric isomers, and their optimized structures were determined. The ionization energies, vibrational frequencies, ir intensities, and various thermodynamic properties (including entropy and heat capacity) for C24N4 and B6N10C12 were calculated by the mndo method. The evidence suggests that a B6N10C12 cage is more stable than that of C24N4. Possible experimental methods to prepare B6N10C12 are also proposed.
    關聯: International journal of quantum chemistry 57(3), pp.465-470
    DOI: 10.1002/(SICI)1097-461X(1996)57:3<465::AID-QUA20>3.0.CO;2-1
    显示于类别:[化學學系暨研究所] 期刊論文

    文件中的档案:

    档案 描述 大小格式浏览次数
    1097-461X_57(3)p465-470.pdf439KbAdobe PDF168检视/开启

    在機構典藏中所有的数据项都受到原著作权保护.

    TAIR相关文章

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