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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...

पूर्ण विवरण

में बचाया:
ग्रंथसूची विवरण
मुख्य लेखकों: Giese, Timothy J., Huang, Ming, Chen, Haoyuan, York, Darrin M.
स्वरूप: Artigo
भाषा:Inglês
प्रकाशित: American Chemical Society 2014
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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