An analysis of the O3DMBE potential energy surface is performed using unconventional contour maps. In this way alternative paths leading to the same products (microscopic branching) are singled out. The detailed J = O quantum probabilities and related mode selectivity and energy disposal obtained through an extensive computational campaign on the EGEE production Grid are interpreted in terms of the mentioned alternative reactive paths. © 2009 Wiley Periodicals, Inc.
Titolo: | Microscopic Branching Processes: The O + O-2 Reaction and Its Relaxed Potential Representations | |
Autori: | ||
Data di pubblicazione: | 2010 | |
Rivista: | ||
Digital Object Identifier (DOI): | http://dx.doi.org/10.1002/qua.22199 | |
Parole Chiave: | Energy disposal; Microscopic branching; Mode selectivity; Oxygen exchange reaction; Relaxed potential representations; Atomic and Molecular Physics, and Optics; Condensed Matter Physics; Physical and Theoretical Chemistry | |
Handle: | http://hdl.handle.net/11384/14390 | |
Appare nelle tipologie: | 1.1 Articolo in rivista |
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