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Recent Advances toward a General Purpose Linear-Scaling Quantum Force Field
[Image: see text] There is need in the molecular simulation community to develop new quantum mechanical (QM) methods that can be routinely applied to the simulation of large molecular systems in complex, heterogeneous condensed phase environments. Although conventional methods, such as the hybrid qu...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2014
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4165466/ https://www.ncbi.nlm.nih.gov/pubmed/24937206 http://dx.doi.org/10.1021/ar500103g |