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Molecule-cluster collisions: Reaction of D2 with Ni13

  • 2. Reactions
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Nuclear Physics Concepts in the Study of Atomic Cluster Physics

Part of the book series: Lecture Notes in Physics ((LNP,volume 404))

Abstract

The reactive channel (dissociative adsorption of the molecule on the cluster) of the D2 + Ni13 collision system is studied via quasiclassical molecular dynamics simulations. The effects of the initial rovibrational state of the molecule and of the cluster structure are examined. Pronounced mode-selectivity of the reaction and a strong structure-reactivity correlation are found. A technique to analyze cluster-molecule complex (“resonance”) formation is presented and used to characterize the direct vs indirect reaction pathways, the probability of formation of reactive resonances and their lifetimes.

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Authors and Affiliations

  1. Chemistry Division, Argonne National Laboratory, 60439, Argonne, Illinois, USA

    Julius Jellinek & Ziya B. Güvenc

Authors
  1. Julius Jellinek
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  2. Ziya B. Güvenc
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Editor information

Rüdiger Schmidt Hans O. Lutz Reiner Dreizler

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© 1992 Springer-Verlag

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Jellinek, J., Güvenc, Z.B. (1992). Molecule-cluster collisions: Reaction of D2 with Ni13 . In: Schmidt, R., Lutz, H.O., Dreizler, R. (eds) Nuclear Physics Concepts in the Study of Atomic Cluster Physics. Lecture Notes in Physics, vol 404. Springer, Berlin, Heidelberg. https://doi.org/10.1007/3-540-55625-7_18

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  • DOI: https://doi.org/10.1007/3-540-55625-7_18

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  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-55625-1

  • Online ISBN: 978-3-540-47264-3

  • eBook Packages: Springer Book Archive

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