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Updated: Aug 7, 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

All-atom molecular dynamic simulations and relative NMR spectra study of weak C-H...O contacts in amide-water systems

Rong Zhang1, Haoran Li, Yi Lei

  • 1Department of Chemistry, Zhejiang University, Hangzhou 310027, People's Republic of China.

The Journal of Physical Chemistry. B
|July 21, 2006
PubMed

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