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

Abigail J. Dobbyn, Michael Stumpf, Hans Martin Keller, William L. Hase, Reinhard Schinke

Research output: Contribution to journalArticle

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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.

Original languageEnglish
Pages (from-to)5867-5870
Number of pages4
JournalThe Journal of Chemical Physics
Volume102
Issue number14
DOIs
StatePublished - 1995

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