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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...
में बचाया:
| मुख्य लेखकों: | , , , |
|---|---|
| स्वरूप: | Artigo |
| भाषा: | Inglês |
| प्रकाशित: |
American Chemical
Society
2014
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| ऑनलाइन पहुंच: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4165466/ https://ncbi.nlm.nih.gov/pubmed/24937206 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ar500103g |
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