A Path Sampling Study of Ru-Hydride-Catalyzed H Hydrogenation of Ethylene.
The article reports on a molecular dynamics and path sampling study of a catalytic cycle to resolve the nature of a ruthenium dihydride intermediate for ethylene dehydrogenation. The ethylene insertion process using path sampling were harvested. The trajectories provide a range of vibrational energy...
| Published in: | Journal of the American Chemical Society Vol. 130; no. 23; pp. 7218 - 7220 |
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| Main Authors: | , |
| Format: | Article |
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American Chemical Society
6/11/2008
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| Online Access: | View this record in EBSCOhost |
| fields | @attributes: recordID: 1 pdfLink: plink: https://search.ebscohost.com/login.aspx?direct=true&db=hlh&AN=32820439&site=ehost-live header: @attributes: shortDbName: hlh uiTerm: 32820439 longDbName: Humanities International Complete uiTag: AN controlInfo: bkinfo: jinfo: jid: 00027863 ACS jtl: Journal of the American Chemical Society issn: 00027863 maglogo: N pubinfo: dt: 6/11/2008 vid: 130 iid: 23 pid: 997 pub: American Chemical Society artinfo: ui: 32820439 10.1021/ja802219a ppf: 7218 ppct: 2 formats: tig: atl: A Path Sampling Study of Ru-Hydride-Catalyzed H Hydrogenation of Ethylene. aug: au: Rowley, Christopher N. Woo, Tom K. affil: Centre for Catalysis Research and Innovation, Department of Chemistry, University of Ottawa, /0 Marie-Curie, Ottawa, ON, KIN 6N5 Canada su: Molecular dynamics Sampling (Process) Ethylene Dehydrogenation Elimination reactions Spectral energy distribution sug: subj: Molecular dynamics Sampling (Process) Ethylene Dehydrogenation Elimination reactions Spectral energy distribution ab: The article reports on a molecular dynamics and path sampling study of a catalytic cycle to resolve the nature of a ruthenium dihydride intermediate for ethylene dehydrogenation. The ethylene insertion process using path sampling were harvested. The trajectories provide a range of vibrational energy distributions which reflect the localization of kinetic energy. pubtype: Academic Journal doctype: Article src: R language: English refInfo: copyright: @attributes: flag: Y dt: @attributes: year: 2008 holdings: @attributes: islocal: N |
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