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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Coexistence of atomic and molecular chemisorption states: H(2)/Pd(210)

P K Schmidt1, K Christmann, G Kresse

  • 1Institut für Chemie der Freien Universität Berlin, D-14195 Berlin-Dahlem, Germany.

Physical Review Letters
|September 5, 2001
PubMed

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