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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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Reaction dynamics of initial O2 sticking on Pd(100)

Angela den Dunnen1, Sandra Wiegman1, Leon Jacobse1

  • 1Leiden Institute of Chemistry, Leiden University, Einsteinweg 55, P.O. Box 9502, 2300 RA Leiden, The Netherlands.

The Journal of Chemical Physics
|June 8, 2015
PubMed

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