Author(s):
Caridade, P. J. S. B. 
; Rodrigues, S. P. J. ; Sousa, F. ; Varandas, A. J. C.
Date: 2005
Persistent ID: http://hdl.handle.net/10316/10335
Origin: Estudo Geral - Universidade de Coimbra
Document details
Unimolecular and Bimolecular Calculations for HN2
Description
Using a recently reported double many-body expansion potential energy surface, quasi-classical, statistical mechanics, and quantum resonance calculations have been performed for the HN2 system by focusing on the determination of bimolecular (N + NH and H + N2) and unimolecular (decomposition of HN2) rate constants as well as the relevant equilibrium constants. http://dx.doi.org/10.1021/jp045102g
Using a recently reported double many-body expansion potential energy surface, quasi-classical, statistical mechanics, and quantum resonance calculations have been performed for the HN2 system by focusing on the determination of bimolecular (N + NH and H + N2) and unimolecular (decomposition of HN2) rate constants as well as the relevant equilibrium constants. http://dx.doi.org/10.1021/jp045102g
Document Type
Article
Language English
Language English
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