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Evaluation of Representations and Response Models for Polarizable Force Fields
[Image: see text] For classical simulations of condensed-phase systems, such as organic liquids and biomolecules, to achieve high accuracy, they will probably need to incorporate an accurate, efficient model of conformation-dependent electronic polarization. Thus, it is of interest to understand wha...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2016
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5002935/ https://www.ncbi.nlm.nih.gov/pubmed/27248842 http://dx.doi.org/10.1021/acs.jpcb.6b03392 |