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Building Water Models: A Different Approach

[Image: see text] Simplified classical water models are currently an indispensable component in practical atomistic simulations. Yet, despite several decades of intense research, these models are still far from perfect. Presented here is an alternative approach to constructing widely used point char...

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Detalhes bibliográficos
Publicado no:J Phys Chem Lett
Main Authors: Izadi, Saeed, Anandakrishnan, Ramu, Onufriev, Alexey V.
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2014
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4226301/
https://ncbi.nlm.nih.gov/pubmed/25400877
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jz501780a
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