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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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Published on: April 12, 2019

Single molecule methods for the study of catalysis: from enzymes to heterogeneous catalysts

Kris P F Janssen1, Gert De Cremer, Robert K Neely

  • 1Laboratory of Photochemistry and Spectroscopy, Department of Chemistry, KU Leuven, Celestijnenlaan 200F, B-3001 Heverlee, Belgium. johan.hofkens@chem.kuleuven.be.

Chemical Society Reviews
|October 3, 2013
PubMed

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