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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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Rationalizing Overhauser DNP of nitroxide radicals in water through MD simulations

Deniz Sezer1

  • 1Faculty of Engineering and Natural Sciences, Sabancι University, Orhanlι-Tuzla, 34956 Istanbul, Turkey. dsezer@sabanciuniv.edu.

Physical Chemistry Chemical Physics : PCCP
|November 29, 2013
PubMed

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