Please use this identifier to cite or link to this item: https://doi.org/10.1063/1.2150207
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dc.titleA full dimensional time-dependent wave packet study for the H4 four-center, collision induced dissociation, and single exchange reactions: Reaction probabilities for J=0
dc.contributor.authorLu, Y.
dc.contributor.authorLee, S.-Y.
dc.contributor.authorZhang, D.H.
dc.date.accessioned2014-10-16T09:13:52Z
dc.date.available2014-10-16T09:13:52Z
dc.date.issued2006
dc.identifier.citationLu, Y., Lee, S.-Y., Zhang, D.H. (2006). A full dimensional time-dependent wave packet study for the H4 four-center, collision induced dissociation, and single exchange reactions: Reaction probabilities for J=0. Journal of Chemical Physics 124 (1) : -. ScholarBank@NUS Repository. https://doi.org/10.1063/1.2150207
dc.identifier.issn00219606
dc.identifier.urihttp://scholarbank.nus.edu.sg/handle/10635/95622
dc.description.abstractA time-dependent initial state selected wave packet method has been developed to study the H2(v1=10-11,j1=0)+H 2 ′(v2=0,j2=0)→HH ′+HH′ four-center (4C) reaction, and two other competing reactions: the H2+H2 ′→ H+H+H2 ′ collision induced dissociation (CID) and the H2+H2 ′→H+HH ′+H′ single exchange (SE) reaction, in full six dimensions. Initial state-specific total reaction probabilities for these three competing reactions are presented for total angular momentum J=0 and the effects of reagent vibration on reactions are examined. It is found that (a) the CID process is the dominant process over the whole energy range considered in this study, but the 4C and SE processes also have non-negligible probabilities; (b) the SE process has a lower threshold energy than the 4C process, but the SE probability increases slower than the 4C probability as collision energy increases; (c) the vibrational excitation of H2(v1) is much more efficient than translational motion for promoting these processes, in particular to the CID process. © 2006 American Institute of Physics.
dc.description.urihttp://libproxy1.nus.edu.sg/login?url=http://dx.doi.org/10.1063/1.2150207
dc.sourceScopus
dc.typeArticle
dc.contributor.departmentPHYSICS
dc.description.doi10.1063/1.2150207
dc.description.sourcetitleJournal of Chemical Physics
dc.description.volume124
dc.description.issue1
dc.description.page-
dc.description.codenJCPSA
dc.identifier.isiut000234428900001
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