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Updated: Aug 16, 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

Modeling of binary adsorption on heterogeneous surfaces characterized by a quasi-gaussian adsorption energy

Krzysztof Nieszporek1, Paweł Szabelski, Mateusz Drach

  • 1Department of Theoretical Chemistry, Maria Curie-Skłodowska University, Pl. M. C. Skłodowskiej 3, 20-031 Lublin, Poland. krzysn@hektor.umcs.lublin.pl

Langmuir : the ACS Journal of Surfaces and Colloids
|July 27, 2005
PubMed

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