Microscopic branching processes: The O + O 2 reaction and its relaxed potential representations

Microscopic branching processes: The O + O 2 reaction and its relaxed potential representations

Abstract An analysis of the O 3 DMBE 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 = 0 quantum probabilities and related mode selectivity and energy disposal...

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Bibliographic Details
Published in:International journal of quantum chemistry Vol. 110; no. 2; pp. 358 - 367
Main Authors: Rampino, Sergio, Skouteris, Dimitris, Laganà, Antonio
Format: Journal Article
Language:English
Published: 01-02-2010
Online Access:Get full text
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Summary:Abstract An analysis of the O 3 DMBE 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 = 0 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. Int J Quantum Chem, 2010
ISSN:0020-7608
1097-461X
DOI:10.1002/qua.22199