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Please use this identifier to cite or link to this item: https://doi.org/10.1063/1.1372711
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dc.titleBranching ratio in the HD+OH reaction: A full-dimensional quantum dynamics study on a new ab initio potential energy surface
dc.contributor.authorZhang, D.H.
dc.contributor.authorYang, M.
dc.contributor.authorLee, S.-Y.
dc.date.accessioned2014-10-16T08:21:43Z
dc.date.available2014-10-16T08:21:43Z
dc.date.issued2001-05-22
dc.identifier.citationZhang, D.H., Yang, M., Lee, S.-Y. (2001-05-22). Branching ratio in the HD+OH reaction: A full-dimensional quantum dynamics study on a new ab initio potential energy surface. Journal of Chemical Physics 114 (20) : 8733-8736. ScholarBank@NUS Repository. https://doi.org/10.1063/1.1372711
dc.identifier.issn00219606
dc.identifier.urihttp://scholarbank.nus.edu.sg/handle/10635/93213
dc.description.abstractThe title reaction on the YZCL2 potential energy surface (PES) was studied using a full-dimensional quantum dynamics. The branching ratio in the HD+OH reaction was determined and it was found that the rotational excitation of the HD reagent increased the rate coefficient for forming the H2O+D product. For an integral cross section, thermal rate coefficients and their corresponding branching ratios, theoretical results were compared with available experimental data. Agreement between theory and experiment was revealed for branching ratio of thermal rate coefficients.
dc.description.urihttp://libproxy1.nus.edu.sg/login?url=http://dx.doi.org/10.1063/1.1372711
dc.sourceScopus
dc.typeArticle
dc.contributor.departmentCHEMISTRY
dc.contributor.departmentCOMPUTATIONAL SCIENCE
dc.description.doi10.1063/1.1372711
dc.description.sourcetitleJournal of Chemical Physics
dc.description.volume114
dc.description.issue20
dc.description.page8733-8736
dc.description.codenJCPSA
dc.identifier.isiut000168580500001
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