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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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The effect of solvent on the catalytic properties of microperoxidase-11

Niall J O'Reilly1, Edmond Magner

  • 1Materials and Surface Science Institute, Department of Chemical and Environmental Sciences, University of Limerick, Limerick, Ireland. noreilly@wit.ie

Physical Chemistry Chemical Physics : PCCP
|February 1, 2011
PubMed

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