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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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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

Modeling the concentration dependence of the methanol self-diffusivity in faujasite systems: comparison with the

D F Plant1, G Maurin, R G Bell

  • 1The Davy Faraday Research Laboratory, Royal Institution of Great Britain, 21 Albemarle Street, London W1S 4BS, United Kingdom.

The Journal of Physical Chemistry. B
|August 11, 2006
PubMed

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