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Hydrogenation of acetylene on Si(100)-(2×1) with atomic hydrogen: evidence for quasi Eley–Rideal chemistry

✍ Scribed by S.I Yi; W.H Weinberg


Book ID
117218743
Publisher
Elsevier Science
Year
1998
Tongue
English
Weight
279 KB
Volume
415
Category
Article
ISSN
0039-6028

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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