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
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