Time dependent quantum dynamics study of the Ne+ + H2(v=0-4) -> NeH+ + H proton transfer reaction
- Mayneris, J. 1
- Sierra, J.D. 2
- González, M. 1
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1
Universitat de Barcelona
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2
Universidad de La Rioja
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ISSN: 0021-9606
Año de publicación: 2008
Volumen: 128
Número: 19
Páginas: 1943071-1943078
Tipo: Artículo
Otras publicaciones en: Journal of Chemical Physics
Resumen
The Ne+ H2+ →Ne H+ +H proton transfer reaction was studied using the time dependent real wave packet quantum dynamics method at the helicity decoupling level, considering the H2+ molecular ion in the (v=0-4, j=0) vibrorotational states and a wide collision energy interval. The calculated reaction probabilities and reaction cross sections were in a rather good agreement with reanalyzed previous exact quantum dynamics results, where a much smaller collision energy interval was considered. Also, a quite good agreement with experimental data was found. These results suggested the adequacy of the approach used here to describe this and related systems. © 2008 American Institute of Physics.