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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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Computational studies of water exchange around aqueous Li+ with polarizable potential models

Liem X Dang1, Harsha V R Annapureddy

  • 1Physical Sciences Division, Pacific Northwest National Laboratory, Richland, Washington 93352, USA.

The Journal of Chemical Physics
|September 7, 2013
PubMed

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