Crossed-beam and reduced dimensionality studies of the state-to-state integral cross sections of the Cl + HCD3(v) → HCl(v′) + CD3 reaction

The state-to-state integral cross sections of the Cl + HCD3(v) → HCl(v′) + CD3 reaction have been studied experimentally and theoretically. Reactions involving both Cl(2P3/2) and Cl(2P1/2) were analysed. In the experiment, a time-sliced velocity imaging detection method under crossed-beam condition...

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मुख्य लेखकों: Shan, X, Remmert, S, Clary, D, Zhang, B, Liu, K
स्वरूप: Journal article
भाषा:English
प्रकाशित: 2013
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author Shan, X
Remmert, S
Clary, D
Zhang, B
Liu, K
author_facet Shan, X
Remmert, S
Clary, D
Zhang, B
Liu, K
author_sort Shan, X
collection OXFORD
description The state-to-state integral cross sections of the Cl + HCD3(v) → HCl(v′) + CD3 reaction have been studied experimentally and theoretically. Reactions involving both Cl(2P3/2) and Cl(2P1/2) were analysed. In the experiment, a time-sliced velocity imaging detection method under crossed-beam condition was used. For theoretical study, a multiple potential energy surface model is employed. A combined reduced dimensionality quantum dynamics and quantum chemistry method is used with explicit treatment of spin-orbit coupling. Good agreement between experiment and theory is obtained, especially for the energy threshold dependence of the cross sections.© 2013 Elsevier B.V. All rights reserved2013 Elsevier B.V. All rights reserved.
first_indexed 2024-03-06T23:14:13Z
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spelling oxford-uuid:668adcd8-b5b1-4fd0-a49b-e2b9cb36a09c2022-03-26T18:32:36ZCrossed-beam and reduced dimensionality studies of the state-to-state integral cross sections of the Cl + HCD3(v) → HCl(v′) + CD3 reactionJournal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:668adcd8-b5b1-4fd0-a49b-e2b9cb36a09cEnglishSymplectic Elements at Oxford2013Shan, XRemmert, SClary, DZhang, BLiu, KThe state-to-state integral cross sections of the Cl + HCD3(v) → HCl(v′) + CD3 reaction have been studied experimentally and theoretically. Reactions involving both Cl(2P3/2) and Cl(2P1/2) were analysed. In the experiment, a time-sliced velocity imaging detection method under crossed-beam condition was used. For theoretical study, a multiple potential energy surface model is employed. A combined reduced dimensionality quantum dynamics and quantum chemistry method is used with explicit treatment of spin-orbit coupling. Good agreement between experiment and theory is obtained, especially for the energy threshold dependence of the cross sections.© 2013 Elsevier B.V. All rights reserved2013 Elsevier B.V. All rights reserved.
spellingShingle Shan, X
Remmert, S
Clary, D
Zhang, B
Liu, K
Crossed-beam and reduced dimensionality studies of the state-to-state integral cross sections of the Cl + HCD3(v) → HCl(v′) + CD3 reaction
title Crossed-beam and reduced dimensionality studies of the state-to-state integral cross sections of the Cl + HCD3(v) → HCl(v′) + CD3 reaction
title_full Crossed-beam and reduced dimensionality studies of the state-to-state integral cross sections of the Cl + HCD3(v) → HCl(v′) + CD3 reaction
title_fullStr Crossed-beam and reduced dimensionality studies of the state-to-state integral cross sections of the Cl + HCD3(v) → HCl(v′) + CD3 reaction
title_full_unstemmed Crossed-beam and reduced dimensionality studies of the state-to-state integral cross sections of the Cl + HCD3(v) → HCl(v′) + CD3 reaction
title_short Crossed-beam and reduced dimensionality studies of the state-to-state integral cross sections of the Cl + HCD3(v) → HCl(v′) + CD3 reaction
title_sort crossed beam and reduced dimensionality studies of the state to state integral cross sections of the cl hcd3 v hcl v cd3 reaction
work_keys_str_mv AT shanx crossedbeamandreduceddimensionalitystudiesofthestatetostateintegralcrosssectionsoftheclhcd3vhclvcd3reaction
AT remmerts crossedbeamandreduceddimensionalitystudiesofthestatetostateintegralcrosssectionsoftheclhcd3vhclvcd3reaction
AT claryd crossedbeamandreduceddimensionalitystudiesofthestatetostateintegralcrosssectionsoftheclhcd3vhclvcd3reaction
AT zhangb crossedbeamandreduceddimensionalitystudiesofthestatetostateintegralcrosssectionsoftheclhcd3vhclvcd3reaction
AT liuk crossedbeamandreduceddimensionalitystudiesofthestatetostateintegralcrosssectionsoftheclhcd3vhclvcd3reaction