Microscopic branching processes: The O + O2 reaction and its relaxed potential representations

Abstract

AbstractAn analysis of the O3 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