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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Detalles Bibliográficos
Autores principales: Gao, Jiali, Truhlar, Donald G., Wang, Yingjie, Mazack, Michael J. M., Löffler, Patrick, Provorse, Makenzie R., Rehak, Pavel
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2014
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4165456/
https://www.ncbi.nlm.nih.gov/pubmed/25098651
http://dx.doi.org/10.1021/ar5002186

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4165456/
https://www.ncbi.nlm.nih.gov/pubmed/25098651
http://dx.doi.org/10.1021/ar5002186

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