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Updated: Jun 21, 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

Published on: April 12, 2019

Effective medium theory for reaction rates and diffusion coefficients of heterogeneous systems

Sergio Alonso1, Raymond Kapral, Markus Bär

  • 1Physikalisch-Technische Bundesanstalt, 10587 Berlin, Germany.

Physical Review Letters
|August 8, 2009
PubMed

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