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Updated: Aug 15, 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

Classical molecular-dynamics simulation of the hydroxyl radical in water

Mario G Campo1, J Raul Grigera

  • 1Departamento de Física, Facultad de Ciencias Exactas y Naturales, Universidad Nacional de La Pampa, Santa Rosa, Argentina. mario@exactas.unlpam.edu.ar

The Journal of Chemical Physics
|September 17, 2005
PubMed

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