Mode selectivity in cluster-molecule interactions: Ni sub 13 + D sub 2

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Results of a detailed quasiclassical simulation study of the Ni{sub 13} + D{sub 2} collision system are presented. The dissociative adsorption of the molecule as well as its scattering from the cluster are analyzed as functions of the initial rovibrational molecular state, collision energy and structure of the cluster. Mode-specific features of the reactive and nonreactive channels of the cluster-molecule interaction are displayed and discussed. Evidence for resonances and for a strong cluster structure-reactivity correlation is presented. 13 refs., 6 figs.

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Jellinek, J. & Guevenc, Z.B. January 1, 1991.

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Results of a detailed quasiclassical simulation study of the Ni{sub 13} + D{sub 2} collision system are presented. The dissociative adsorption of the molecule as well as its scattering from the cluster are analyzed as functions of the initial rovibrational molecular state, collision energy and structure of the cluster. Mode-specific features of the reactive and nonreactive channels of the cluster-molecule interaction are displayed and discussed. Evidence for resonances and for a strong cluster structure-reactivity correlation is presented. 13 refs., 6 figs.

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Pages: (13 p)

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OSTI; NTIS; INIS; GPO Dep.

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  • 24. Jerusalem symposium on quantum chemistry, mode-selective chemistry, Jerusalem (Israel), 20-24 May 1991

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  • Other: DE91013352
  • Report No.: ANL/CP-73275
  • Report No.: CONF-9105200--1
  • Grant Number: W-31109-ENG-38
  • Office of Scientific & Technical Information Report Number: 5543820
  • Archival Resource Key: ark:/67531/metadc1092403

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  • January 1, 1991

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  • Feb. 10, 2018, 10:06 p.m.

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  • April 18, 2018, 7:01 p.m.

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Jellinek, J. & Guevenc, Z.B. Mode selectivity in cluster-molecule interactions: Ni sub 13 + D sub 2, article, January 1, 1991; Illinois. (digital.library.unt.edu/ark:/67531/metadc1092403/: accessed October 18, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.