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Understanding how water models affect the anomalous pressure dependence of their diffusion coefficients
The self-diffusion coefficient of water shows an anomalous increase with increasing hydrostatic pressure up to a broad maximum (P(mD)) near 1 kbar at 298 K, which has been attributed to pressure effects on the tetrahedral hydrogen bond network of water. Moreover, the ability of a water model to repr...
Gardado en:
| Publicado en: | J Chem Phys |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
AIP Publishing LLC
2020
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| Assuntos: | |
| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7486981/ https://ncbi.nlm.nih.gov/pubmed/32933292 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/5.0021472 |
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