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Multiscale Coarse-graining and Structural Correlations: Connections to Liquid State Theory

A statistical mechanical framework elucidates the significance of structural correlations between coarse-grained (CG) sites in the multiscale coarse-graining (MS-CG) method [S. Izvekov and G.A. Voth. J. Phys. Chem. B 109 2469 (2005), J. Chem. Phys. 123 134105 (2005)]. If no approximations are made,...

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Bibliographic Details
Main Authors: Noid, W. G., Chu, Jhih-Wei, Ayton, Gary S., Voth, Gregory A.
Format: Artigo
Language:Inglês
Published: 2007
Subjects:
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC2642678/
https://ncbi.nlm.nih.gov/pubmed/17394308
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp068549t
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