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Please use this identifier to cite or link to this item: https://scholarbank.nus.edu.sg/handle/10635/93214
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dc.titleBreakdown of the spectator model for the OH bonds in studying the H + H2O reaction
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.issued2002-09-02
dc.identifier.citationZhang, D.H.,Yang, M.,Lee, S.Y. (2002-09-02). Breakdown of the spectator model for the OH bonds in studying the H + H2O reaction. Physical Review Letters 89 (10) : 1032011-1032014. ScholarBank@NUS Repository.
dc.identifier.issn00319007
dc.identifier.urihttp://scholarbank.nus.edu.sg/handle/10635/93214
dc.description.abstractThe six-dimensional quantum dynamics study of the H+H2O reaction was reported by treating both OH bonds in the H2O reactant as reactive bonds. It was found that OH bond in the H2O reactant should be treated as reactive bonds to accurately investigate the exchange process. The results showed that the motion of one OH bond can be expanded by using a few vibrational basis functions.
dc.sourceScopus
dc.typeArticle
dc.contributor.departmentCHEMISTRY
dc.contributor.departmentCOMPUTATIONAL SCIENCE
dc.description.sourcetitlePhysical Review Letters
dc.description.volume89
dc.description.issue10
dc.description.page1032011-1032014
dc.description.codenPRLTA
dc.identifier.isiutNOT_IN_WOS
Appears in Collections:Staff Publications

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