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Dissociation dynamics of D2 and H2 on rigid and nonrigid Cu7 clusters

✍ Scribed by H.G. Yu; J.Y. Cheng

Publisher: Elsevier Science
Year: 1994
Tongue: English
Weight: 318 KB
Volume: 226
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(94)00714-4

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✦ Synopsis

The results are reported of a theoretical study of the dissociation dynamics of D2 and Hz on a Cu, cluster, based on a new empirical potential energy function. The results show that the dissociation rate constants as well as the cross sections from calculations on the nonrigid cluster were nearly equal to those obtained with the rigid Cu cluster, but a strong isotopic effect was found.

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