Cargando…
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...
| Autores principales: | , , , , , , |
|---|---|
| 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 |