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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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Experimental and computational study of a direct O2-coupled Wacker oxidation: water dependence in the absence of Cu

Brian J Anderson1, John A Keith, Matthew S Sigman

  • 1Department of Chemistry, University of Utah, 315 S 1400 E, Salt Lake City, Utah 84112-085, USA.

Journal of the American Chemical Society
|August 7, 2010
PubMed

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