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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
C Richard A Catlow1,2,3, Arunabhiram Chutia4, Matthew G Quesne2,3
1Department of Chemistry, University College London, 20 Gordon St, London WC1H 0AJ, UK. c.r.a.catlow@ucl.ck.uk.
No abstract available in PubMed .