English  |  正體中文  |  简体中文  |  全文笔数/总笔数 : 49194/83570 (59%)
造访人次 : 7091666      在线人数 : 43
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/987654321/25174


    题名: Reaction mechanism of hydrogenation of carbon dioxide to formic acid in the presence of scandium oxide: a density functional study
    作者: 黃德彥;Hwang, Der-yan
    贡献者: 淡江大學化學學系
    日期: 2004-09-21
    上传时间: 2009-12-01
    出版者: Elsevier
    摘要: Density functional calculations of potential energy surfaces in the CO2/H2/ScO(2Σ+) system have been performed to investigate the reaction mechanism of CO2 hydrogenation to formic acid in the presence of ScO. The results show that ScO can easily form a variety of complexes with CO2 and H2, complexes of CO2 with HScOH, and a highly exothermic cyc-OC(H)OScOH molecule. Although transformation of the latter to ScO + HCOOH is impeded by the high barrier for hydrogen transfer from ScOH to HCO2, it is expected to be fast in the gas phase because the transition state is only 2.3 kcal/mol higher in energy than the reactants CO2 + H2 + ScO.
    關聯: Chemical Physics Letters 396(1-3), pp.75-82
    DOI: 10.1016/j.cplett.2004.07.113
    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 大小格式浏览次数
    0KbUnknown154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