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Movies of thin film water on NaCl(100) surface

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Dataset, (2022)
DOI: 10.18419/darus-2697

Zusammenfassung

Videos showing water molecules at a sodium chloride (NaCl) solid surface for different water content. The force field for the water is TIP4P/epsilon (https://doi.org/10.1021/jp410865y), and the force field for the ions is from Loche et al. (https://doi.org/10.1021/acs.jpcb.1c05303). The trajectories have been generated using the GROMACS simulation package, and the videos have been created using VMD.

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Nutzer

  • @unibiblio
  • @sfb1313-puma

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