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Updated: May 13, 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

Reactivity of metal oxide clusters with hydrogen peroxide and water--a DFT study evaluating the performance of

Cláudio M Lousada1, Adam Johannes Johansson, Tore Brinck

  • 1Applied Physical Chemistry, School of Chemical Science and Engineering, KTH Royal Institute of Technology, Stockholm, Sweden. cmlp@kth.se

Physical Chemistry Chemical Physics : PCCP
|March 6, 2013
PubMed

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