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The liquid-vapor equilibria of TIP4P/2005 and BLYPSP-4F water models determined through direct simulations of the liquid-vapor interface
In this paper, the surface tension and critical properties for the TIP4P/2005 and BLYPSP-4F models are reported. A clear dependence of surface tension on the van der Waals cutoff radius (r(vdw)) is shown when van der Waals interactions are modeled with a simple cutoff scheme. A linear extrapolation...
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| Publicado no: | J Chem Phys |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
AIP Publishing LLC
2015
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4457660/ https://ncbi.nlm.nih.gov/pubmed/26049508 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4922166 |
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