On the possible catalysis by single water molecules of gas-phase hydrogen abstraction reactions by OH radicals

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Updated: May 19, 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

Ditte Linde Thomsen1, Theo Kurtén, Solvejg Jørgensen

  • 1Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK-2100 Copenhagen Ø, Denmark.

Physical Chemistry Chemical Physics : PCCP
|August 21, 2012
PubMed

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