English   español  
Por favor, use este identificador para citar o enlazar a este item: http://hdl.handle.net/10261/113792
COMPARTIR / IMPACTO:
Estadísticas
logo share SHARE logo core CORE   Add this article to your Mendeley library MendeleyBASE

Visualizar otros formatos: MARC | Dublin Core | RDF | ORE | MODS | METS | DIDL
Exportar a otros formatos:
Título

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

AutorGonzález-Lezana, Tomás ; Scribano, Yohann; Honvault, Pascal
Fecha de publicación6-may-2014
EditorAmerican Chemical Society
CitaciónJournal 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.
Descripción8 pags.; 11 figs.; 3 tabs.
Versión del editordx.doi.org/10.1021/jp501446y
URIhttp://hdl.handle.net/10261/113792
DOI10.1021/jp501446y
ISSN1520-5215
Aparece en las colecciones: (CFMAC-IFF) Artículos
Ficheros en este ítem:
Fichero Descripción Tamaño Formato  
embargo.pdf21,67 kBAdobe PDFVista previa
Visualizar/Abrir
Mostrar el registro completo
 

Artículos relacionados:


NOTA: Los ítems de Digital.CSIC están protegidos por copyright, con todos los derechos reservados, a menos que se indique lo contrario.