The effect of a cluster on a chemical reaction: a quasiclassical trajectory study |
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| Authors: | Satrajit Adhikari Gert D Billing |
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| Institution: | Department of Chemistry, H.C. Ørsted Institute, University of Copenhagen, DK-2100 Ø, Denmark |
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| Abstract: | We have calculated product rotational state distributions for the D + H2 reaction trapped in the center of icosahedral argon cluster at various cluster temperatures. All the degrees of freedom are treated classically in the present calculations. The rotational state distributions exhibit considerable dependence on the cluster environment and its temperature as compared with those obtained in the gas phase reaction. |
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