Quantum mechanical study of the unimolecular dissociation of HO 2: A rigorous test of RRKM theory

Abstract

Three-dimensional quantum mechanical calculations are carried out, in a time-independent scattering approach, to study the unimolecular dissociation HO2→H+O2. The dissociation cross section is governed by narrow resonances with widths that vary over five orders of magnitude. The unimolecular dissociation rates strongly fluctuate about an average which agrees surprisingly well with the Rampsberger-Rice-Kassel-Marcus (RRKM) theory. © 1995 American Institute of Physics.