Elsevier

Surface Science

Volume 163, Issues 2–3, 2 November 1985, Pages 285-302
Surface Science

Quantum chemical studies of the chemisorption of atomic hydrogen on copper and silver clusters

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Abstract

The adsorption of atomic hydrogen on group Ib elements has been studied, by means of pseudopotential calculations, for copper and silver clusters with up to six atoms. Various adsorption positions and spin multiplicities have been considered, and corresponding equilibrium internuclear distances, binding energies and force constants have been calculated.

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Preliminary account in Surface Sci. 156 (1985) 930.

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