English  |  正體中文  |  简体中文  |  全文筆數/總筆數 : 59160/92571 (64%)
造訪人次 : 739255      線上人數 : 40
RC Version 7.0 © Powered By DSPACE, MIT. Enhanced by NTU Library & TKU Library IR team.
搜尋範圍 查詢小技巧:
  • 您可在西文檢索詞彙前後加上"雙引號",以獲取較精準的檢索結果
  • 若欲以作者姓名搜尋,建議至進階搜尋限定作者欄位,可獲得較完整資料
  • 進階搜尋
    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/987654321/25398

    題名: Theoretical study of the reaction mechanism of ScO with molecular hydrogen
    作者: 黃德彥;Hwang, Der-yan;Mebel, Alexander M.
    貢獻者: 淡江大學化學學系
    日期: 2001-06-22
    上傳時間: 2009-12-01
    出版者: Elsevier
    摘要: B3LYP and CCSD(T) calculations with various basis sets have been performed to investigate the potential energy surface for the ScO+H2→Sc+H2O reaction, which is shown to proceed by formation of the HScOH molecule. HScOH can isomerize to the molecular Sc–OH2 complex and dissociate to Sc atoms and water with endothermicity of 51–59 kcal/mol. The HScOH molecule is thermodynamically stable and the barrier required to release H2, ∼28 kcal/mol, is much lower than the energy needed for the Sc+H2O dissociation. The Sc–OH2 molecular complex has a binding energy of 7–11 kcal/mol and is stabilized kinetically with respect to isomerization to HScOH by a significant barrier.
    關聯: Chemical Physics Letters 341(3-4), pp.393-399
    DOI: 10.1016/S0009-2614(01)00502-4
    顯示於類別:[化學學系暨研究所] 期刊論文


    檔案 描述 大小格式瀏覽次數
    Theoretical study of the reaction mechanism of ScO with molecular hydrogen.pdf256KbAdobe PDF2檢視/開啟



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