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Electronic Polarizability and the Effective Pair Potentials of Water
Employing the continuum dielectric model for electronic polarizability, we have developed a new consistent procedure for parameterization of the effective nonpolarizable potential of liquid water. The model explains the striking difference between the value of water dipole moment μ~3D reported in re...
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| Publicado no: | J Chem Theory Comput |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2010
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4224308/ https://ncbi.nlm.nih.gov/pubmed/25383062 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct1002048 |
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