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Updated: May 11, 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

Quantum chemical study of the reactions between Pd+/Pt+ and H2O/H2S

Oier Lakuntza1, Jon M Matxain, Fernando Ruipérez

  • 1Kimika Fakultatea, Euskal Herriko Unibertsitatea (UPV/EHU) and Donostia International Physics Center, P.K. 1072, 20018 Donostia, Euskadi, Spain. olakuntza@ehu.es

Chemistry (Weinheim an Der Bergstrasse, Germany)
|May 25, 2013
PubMed

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