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Updated: Jul 11, 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

Semiclassical dynamics of electron transfer at metal surfaces

Hongzhi Cheng1, Neil Shenvi, John C Tully

  • 1Department of Physics, Yale University, New Haven, Connecticut 06520, USA.

Physical Review Letters
|October 13, 2007
PubMed

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