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Role of Rotational Alignment in Dissociative Chemisorption and Oxidation: O2 on Bare and CO-Precovered Pd(100)

✍ Scribed by Andrea Gerbi; Letizia Savio; Luca Vattuone; Fernando Pirani; David Cappelletti; Mario Rocca

Publisher: John Wiley and Sons
Year: 2006
Tongue: English
Weight: 228 KB
Volume: 118
Category: Article
ISSN: 0044-8249
DOI: 10.1002/ange.200602180

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We have carried out classical trajectory calculations on the dissociative chemisorption of Hs(0, j) on Ni( 100). Above threshold, the results are found to be in good agreement with a recent mixed quantum-classical treatment. We fmd that rotational effects in direct chemisorption reactions can be exp