English  |  正體中文  |  简体中文  |  全文笔数/总笔数 : 55531/89856 (62%)
造访人次 : 10982519      在线人数 : 394
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/987654321/98703


    题名: Towards Relative Populations of Non-Isomeric Metallofullerenes: La@C76(Td) vs. La2@C76(Cs, 17490)
    作者: Zdenĕk Slanina;Filip Uhlik;Lee, Shyi-Long;Wang, Bo-Cheng;Ludwik Adamowick;Mitsuaki Suzuki;Masayuki Haranka;Lai Feng;Xing Lu;Shigeru Nagase;Takeshi Akasaka
    贡献者: 淡江大學化學學系
    关键词: metallofullerenes;La endohedrals;relative populations;IPR/non-IPR cages;encapsulate motions
    日期: 2014-05-01
    上传时间: 2014-09-15 15:13:33 (UTC+8)
    出版者: Philadelphia: Taylor & Francis Inc.
    摘要: Recently, a new member of the lanthanum-containing metallofullerene family has been isolated and its structure determined from X-ray crystallographic analysis, namely LaTd@Cs(Td, 17490), even with two pairs of connected pentagons, hence violating the isolated-pentagon rule (IPR). In order to explain the interesting observation, a computational treatment is suggested for evaluations of the relative populations of nonisomeric metallofullerenes. As a comparative reference structure, the most stable La@cCs isomer is selected — the IPR-C 2(76)-cage based endohedral La@cCs(76). In the relevant temperature region, the La 76@cTd(76, 17490) species should be considerably more populated compared to La@cTd(2). The new computational stability treatment is applicable to a wider spectrum of nonisomeric metallofullerenes.
    關聯: Fullerenes, Nanotubes and Carbon Nanostructures 22(1-3), pp.299-306
    DOI: 10.1080/1536383X.2013.863764
    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
    index.html0KbHTML165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