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Chemisorption of formate and acetate on cluster models of Rh and bimetallic RhSn clusters

✍ Scribed by I. Pápai; J. Ushio; D.R. Salahub

Publisher
Elsevier Science
Year
1993
Weight
58 KB
Volume
282
Category
Article
ISSN
0167-2584

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✍ Harrell Sellers 📂 Article 📅 1991 🏛 Elsevier Science 🌐 English ⚖ 686 KB

We present a convenient method of treating bulk metal atoms that are distant from the chemisorption site in ab initio MO calculations and present example calculations for S and N chemisorption on Pd( 11 I ). We present additional RECP Hartree-Fock+ PT2 calculations on the N-Pd( 1 I I ) system in an