• Title of article

    Rationalizing the S(1D) + H2 → SH(X2Π) + H reaction dynamics through a semi-classical capture model

  • Author/Authors

    Larregaray، نويسنده , , P. and Bonnet، نويسنده , , L.، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2012
  • Pages
    5
  • From page
    18
  • To page
    22
  • Abstract
    The dynamics of the title process is investigated using a semi-classical capture model. Such a model leads to predictions in nice agreement with recent state-of-the-art exact quantum scattering calculations and experiments. The role of reactive resonances, which are thought to play a role at low collision energy, is highlighted. In line with Professor Rayez’s carrier achievements, this work illustrates how simple models may help rationalizing the dynamics of elementary reactions.
  • Keywords
    reaction dynamics , WKB , Complex forming processes , Semi-classical capture models , Reactive resonances
  • Journal title
    Computational and Theoretical Chemistry
  • Serial Year
    2012
  • Journal title
    Computational and Theoretical Chemistry
  • Record number

    2285619