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.

Microscopic Branching Processes: The O + O-2 Reaction and Its Relaxed Potential Representations

SKOUTERIS, Dimitrios;
2010

Abstract

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.
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
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/11384/14390
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