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Updated: Jul 6, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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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

Modeling reaction and transport of multiple species in water distribution systems

Feng Shang1, James G Uber, Lewis A Rossman

  • 1Department of Civil and Environmental Engineering, University of Cincinnati, P.O. Box 210071, Cincinnati, Ohio 45221-0071, USA. feng.shang@uc.edu

Environmental Science & Technology
|March 8, 2008
PubMed

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