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Updated: Sep 26, 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

Requirements for functional models of the iron hydrogenase active site: D2/H2O exchange activity in

Irene P Georgakaki1, Matthew L Miller, Marcetta Y Darensbourg

  • 1Department of Chemistry, Texas A&M University, College Station, Texas 77843, USA.

Inorganic Chemistry
|April 15, 2003
PubMed

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