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https://hdl.handle.net/10316/10315
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. | URI: | https://hdl.handle.net/10316/10315 | DOI: | 10.1021/jp9530818 | Rights: | openAccess |
Appears in Collections: | FCTUC Química - Artigos em Revistas Internacionais |
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Dynamics of the Li + Li2 Reaction.pdf | 409.64 kB | Adobe PDF | View/Open |
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