Dynamics of the simplest chlorine atom reaction: An experimental and theoretical study

M. Alagia, N. Balucani, L. Cartechini, P. Casavecchia, E. H. Van Kleef, G. G. Volpi, F. J. Aoiz, L. Bañares, D. W. Schwenke, T. C. Allison, S. L. Mielke, D. G. Truhlar

Research output: Contribution to journalArticlepeer-review

97 Scopus citations

Abstract

Angular distributions and time-of-flight spectra for the reaction Cl + H2 → HCl + H obtained from a high-resolution, crossed-molecular beam experiment were compared to differential cross sections calculated by both converged quantum mechanical scattering and quasi-classical trajectory methods. Good agreement was found between the experimental results and each theoretical prediction. The results demonstrate that excellent agreement can be obtained between state-of-the-art simulations and experiments for the detailed dynamical properties of this prototype chlorine atom reaction.

Original languageEnglish (US)
Pages (from-to)1519-1522
Number of pages4
JournalScience
Volume273
Issue number5281
DOIs
StatePublished - 1996

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