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Understanding the Dielectric Properties of Liquid Amides from a Polarizable Force Field
The role played by electronic polarization in the dielectric properties of liquid N-methyl acetamide (NMA) is examined using molecular dynamics simulations with a polarizable force field based on classical Drude oscillators. The model presented is the first force field shown to reproduce the anomalo...
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| Publicado no: | J Phys Chem B |
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| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2008
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4754998/ https://ncbi.nlm.nih.gov/pubmed/18302362 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp709729d |
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