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Updated: Jul 3, 2026

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

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Utilization of the three-dimensional volcano surface to understand the chemistry of multiphase systems in

Jun Cheng1, P Hu

  • 1School of Chemistry and Chemical Engineering, The Queen's University of Belfast, Belfast, BT9 5AG, UK.

Journal of the American Chemical Society
|July 25, 2008
PubMed

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