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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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Interplay of first-order kinetic and thermodynamic phase transitions in heterogeneous catalytic reactions

Vladimir P Zhdanov1, Tatsuo Matsushima

  • 1Catalysis Research Center, Hokkaido University, Sapporo 001-0021, Japan. zhdanov@catalysis.ru

Physical Review Letters
|March 16, 2007
PubMed

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