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Updated: May 31, 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

Recent density functional studies of hydrodesulfurization catalysts: insight into structure and mechanism

Berit Hinnemann1, Poul Georg Moses, Jens K Nørskov

  • 1Haldor Topsøe A/S, Nymøllevej 55, DK-2800 Lyngby, Denmark.

Journal of Physics. Condensed Matter : an Institute of Physics Journal
|June 23, 2011
PubMed

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