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Título

The D+ + H2 reaction: Differential and integral cross sections at low energy and rate constants at low temperature

Autor González-Lezana, Tomás ; Scribano, Yohann; Honvault, Pascal
Fecha de publicación 6-may-2014
EditorAmerican Chemical Society
Citación Journal of Physical Chemistry A, 18 (33): 6416–6424 (2014)
ResumenThe D+ + H2 reaction is investigated by means of a time independent quantum mechanical (TIQM) and statistical quantum mechanical (SQM) methods. Differential cross sections and product rotational distributions obtained with these two theoretical approaches for collision energies between 1 meV and 0.1 eV are compared to analyze the dynamics of the process. The agreement observed between the TIQM differential cross sections and the SQM predictions as the energy increases revealed the role played by the complex-forming mechanism. The importance of a good description of the asymptotic regions is also investigated by calculating rate constants for the title reaction at low temperature. © 2014 American Chemical Society.
Descripción 8 pags.; 11 figs.; 3 tabs.
Versión del editordx.doi.org/10.1021/jp501446y
URI http://hdl.handle.net/10261/113792
DOI10.1021/jp501446y
ISSN1520-5215
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