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Updated: Jul 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

Can an OH radical form a strong hydrogen bond? A theoretical comparison with H2O

Chin-Hung Lai1, Pi-Tai Chou

  • 1Department of Chemistry, National Taiwan University, 106, Taipei, Taiwan, Republic of China. chop@ntu.edu.tw

Journal of Computational Chemistry
|March 8, 2007
PubMed

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