Comparison of theoretical and experimental differential cross sections for the H + D2 reaction

Steven L Mielke, Donald G Truhlar, David W. Schwenke

Research output: Contribution to journalReview articlepeer-review

25 Scopus citations

Abstract

We present accurate quantum mechanical differential cross sections for the H + D2 reaction. Results are given for two potential energy surfaces and three initial states at relative translational energies of Erel = 0.525-0.562 eV. Comparisons are made to quasiclassical trajectory simulations and experiments. The average final rotational quantum number is 12% less than the quasiclassical one, and the quantal and classical differential cross sections have qualitatively different shapes. The theoretical differential cross sections show less forward scattering than experiment.

Original languageEnglish (US)
Pages (from-to)1053-1057
Number of pages5
JournalJournal of Physical Chemistry
Volume98
Issue number4
DOIs
StatePublished - Jan 1 1994

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