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Explicit Polarization: A Quantum Mechanical Framework for Developing Next Generation Force Fields
[Image: see text] Molecular mechanical force fields have been successfully used to model condensed-phase and biological systems for a half century. By means of careful parametrization, such classical force fields can be used to provide useful interpretations of experimental findings and predictions...
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| Main Authors: | , , , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Chemical
Society
2014
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| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4165456/ https://ncbi.nlm.nih.gov/pubmed/25098651 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ar5002186 |
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