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Updated: May 28, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

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

Published on: April 12, 2019

Comment on "Reactive force fields for surface chemical reactions: a case study with hydrogen dissociation on Pd

X J Shen, W Dong, Y Xiao

    The Journal of Chemical Physics
    |November 4, 2011
    PubMed

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