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Dynamics of the O(1D)+HD reaction: A quasiclassical trajectory multisurface study

AuthorsAoiz, F. Javier ; Bañares, L.; Brouard, M.; Castillo, J.F.; Herrero, Víctor J.
Issue Date1-Oct-2000
PublisherAmerican Institute of Physics
CitationJournal of Chemical Physics 113: 5339-5353 (2000)
AbstractThe potential energy surfaces (PES) of deuterium compounds studied using quasiclassical trajectory (QCT) and quantum mechanics (QM) methods are presented. PES correlates with ground state reagents and not with ground state products and undergo nonadiabatic transitions. The product translational energy distributions of the compounds were also carried out using molecular beam experiments.
Description15 pags., 17 figs., 3 tabs.
Publisher version (URL)http://dx.doi.org/10.1063/1.1290127
Identifiersdoi: 10.1063/1.1290127
issn: 0021-9606
Appears in Collections:(CFMAC-IEM) Artículos
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