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Hot-atom mechanism in hydrogen exchange reaction on the Ir{100} surface

โœ Scribed by Michio Okada; Kousuke Moritani; Mamiko Nakamura; Toshio Kasai; Yoshitada Murata


Book ID
108311942
Publisher
Elsevier Science
Year
2000
Tongue
English
Weight
236 KB
Volume
323
Category
Article
ISSN
0009-2614

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Adsorption of hydrogen atoms on the Si(1
โœ Christine J. Wu; Emily A. Carter ๐Ÿ“‚ Article ๐Ÿ“… 1991 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 558 KB

The adsorption of atomic hydrogen on the reconstructed Si ( lOO)-2 x I surface is studied using embedded Si clusters as models of an extended Si surface. Analytic gradients of generalized valence bond (GVB) wavefunctions are used to predict equilibrium structures and harmonic vibrational frequencies