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Properties of water along the liquid-vapor coexistence curve via molecular dynamics simulations using the polarizable TIP4P-QDP-LJ water model
We present an extension of the TIP4P-QDP model, TIP4P-QDP-LJ, that is designed to couple changes in repulsive and dispersive nonbond interactions to changes in polarizability. Polarizability is intimately related to the dispersion component of classical force field models of interactions, and we exp...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Institute of Physics
2009
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| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2748300/ https://ncbi.nlm.nih.gov/pubmed/19725623 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.3200869 |
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