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Updated: May 9, 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

Molecular tuning of the closed shell C-H···F-C hydrogen bond

Norman Lu1, Rebecca M Ley, Charles E Cotton

  • 1Department of Chemistry, Purdue University, West Lafayette, Indiana 47907-1393, United States. normanlu@ntut.edu.tw

The Journal of Physical Chemistry. A
|August 6, 2013
PubMed

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