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On the origin of the forward peak and backward oscillations in the F + H(2)(v = 0) --> HF(v' = 2) + H reaction.
Sokolovski, D; De Fazio, D; Cavalli, S; Aquilanti, V.
Afiliación
  • Sokolovski D; School of Mathematics and Physics, Queen's University of Belfast, UKBT7 1NN. d.sokolovski@qub.ac.uk
Phys Chem Chem Phys ; 9(42): 5664-71, 2007 Nov 14.
Article en En | MEDLINE | ID: mdl-17960254
ABSTRACT
We present a semiclassical complex angular momentum (CAM) analysis of the forward scattering peak which occurs at a translational collision energy around 32 meV in the quantum mechanical calculations for the F + H(2)(v = 0, j = 0) --> HF(v' = 2, j' = 0) + H reaction on the Stark-Werner potential energy surface. The semiclassical CAM theory is modified to cover the forward and backward scattering angles. The peak is shown to result from constructive/destructive interference of the two Regge states associated with two resonances, one in the transition state region and the other in the exit channel van der Waals well. In addition, we demonstrate that the oscillations in the energy dependence of the backward differential cross section are caused by the interference between the direct backward scattering and the decay of the two resonance complexes returning to the backward direction after one full rotation.
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Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Phys Chem Chem Phys Asunto de la revista: BIOFISICA / QUIMICA Año: 2007 Tipo del documento: Article
Buscar en Google
Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Phys Chem Chem Phys Asunto de la revista: BIOFISICA / QUIMICA Año: 2007 Tipo del documento: Article