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Title: Dynamics of the Li + Li2 Reaction: Coexistence of Statistical and Direct Attributes
Authors: Pais, A. A. C. C. 
Voronin, A. I. 
Varandas, A. J. C. 
Issue Date: 2-May-1996
Publisher: American Chemical Society
Citation: he Journal of Physical Chemistry. 100:18 (1996) 7480-7487
Abstract: By using the accurate DMBE III potential energy surface for Li3, we have carried out a detailed dynamics study of the title reaction. Besides reporting on the effect of translational and vibrational excitation of the reactants, a comparison is also presented for two models for defining the collision complex. The results support the coexistence of two different types of reaction mechanisms. One, characterized by long-lived trajectories, dominates at low-energy regimes and vibrational excitation. The other, mostly associated with direct type trajectories, starts to play a more important role at still reasonably low collisional energies, depending on the vibrational state of the reactants. It is also shown that, for initial vibrational excitation of diatomic, short-lived collision complexes can be associated with extensive randomization of vibrational energy.
DOI: 10.1021/jp9530818
Rights: openAccess
Appears in Collections:FCTUC Química - Artigos em Revistas Internacionais

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