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
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
Journal title :
Computational and Theoretical Chemistry