Please use this identifier to cite or link to this item:
https://hdl.handle.net/10316/10315
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Pais, A. A. C. C. | - |
dc.contributor.author | Voronin, A. I. | - |
dc.contributor.author | Varandas, A. J. C. | - |
dc.date.accessioned | 2009-06-24T14:26:12Z | - |
dc.date.available | 2009-06-24T14:26:12Z | - |
dc.date.issued | 1996-05-02 | - |
dc.identifier.citation | he Journal of Physical Chemistry. 100:18 (1996) 7480-7487 | en_US |
dc.identifier.uri | https://hdl.handle.net/10316/10315 | - |
dc.description.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. | en_US |
dc.language.iso | eng | en_US |
dc.publisher | American Chemical Society | en_US |
dc.rights | openAccess | eng |
dc.title | Dynamics of the Li + Li2 Reaction: Coexistence of Statistical and Direct Attributes | en_US |
dc.type | article | en_US |
dc.identifier.doi | 10.1021/jp9530818 | - |
item.fulltext | Com Texto completo | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
item.languageiso639-1 | en | - |
item.openairetype | article | - |
item.cerifentitytype | Publications | - |
item.grantfulltext | open | - |
crisitem.author.researchunit | CQC - Coimbra Chemistry Centre | - |
crisitem.author.researchunit | CQC - Coimbra Chemistry Centre | - |
crisitem.author.parentresearchunit | Faculty of Sciences and Technology | - |
crisitem.author.parentresearchunit | Faculty of Sciences and Technology | - |
crisitem.author.orcid | 0000-0002-6725-6460 | - |
crisitem.author.orcid | 0000-0003-1501-3317 | - |
Appears in Collections: | FCTUC Química - Artigos em Revistas Internacionais |
Files in This Item:
File | Description | Size | Format | |
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Dynamics of the Li + Li2 Reaction.pdf | 409.64 kB | Adobe PDF | View/Open |
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