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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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Adlayer inhomogeneity without lateral interactions: rationalizing correlation effects in CO oxidation at RuO2(110)

Sebastian Matera1, Hakim Meskine, Karsten Reuter

  • 1Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin, Germany. matera@fhi-berlin.mpg.de

The Journal of Chemical Physics
|February 17, 2011
PubMed

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