Reaction Dynamics of Ba+CH_3Br/HBr→BaBr+CH_3/H

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著者

    • WU Victor Wei-Keh
    • State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences
    • HAN Ke-Li
    • State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences
    • HE Guo-Zhong
    • State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences

抄録

QCT calculations for reactions Ba + CH<SUB>3</SUB>Br and Ba + HBr on LEPS surfaces within 0.01 ≤ E<SUB>rel</SUB> ≤ 3.0 eV by comparison with available experimental data within 0.075 ≤ E<SUB>rel</SUB> ≤ 2.31 eV have been done. The reaction dynamics of both chemical reactions have been obtained and their mechanisms have been deduced. The difference of the reaction dynamics via stripping and migration have been graphically described. The H atom of HBr shows enormous contribution of migration in the reaction of Ba+HBr, though the volume of H is comparably much smaller.

収録刊行物

  • Chemistry letters  

    Chemistry letters 1997(9), 841-842, 1997-09 

    The Chemical Society of Japan

参考文献:  24件

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各種コード

  • NII論文ID(NAID)
    10002614457
  • NII書誌ID(NCID)
    AA00603318
  • 本文言語コード
    ENG
  • 資料種別
    ART
  • ISSN
    03667022
  • データ提供元
    CJP書誌  J-STAGE 
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