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An Integral Equation Study of the Hydrophobic Interaction between Graphene Plates

The hydrophobic association of two parallel graphene sheets is studied using the 3D-RISM HNC integral equations with several theoretical methods for the solvent distribution functions. The potential of mean force is calculated to study the effects of the aqueous solvent models and methods on the pla...

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Detalhes bibliográficos
Main Authors: Howard, Jesse J., Perkyns, John S., Choudhury, Niharendu, Pettitt, B. Montgomery
Formato: Artigo
Idioma:Inglês
Publicado em: 2008
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2650438/
https://ncbi.nlm.nih.gov/pubmed/19262740
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct8002817
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