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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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Size-Dependent Fullerene-Fullerene Interactions in Water: A Molecular Dynamics Study

Adam J Makarucha1, Julia S Baldauf1, Matthew T Downton1

  • 1IBM Research Australia , 204 Lygon Street, Carlton VIC 3053, Australia.

The Journal of Physical Chemistry. B
|October 8, 2016
PubMed

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