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Wetting and contact-line effects for spherical and cylindrical droplets on graphene layers: a comparative molecular-dynamics investigation.
Phys Rev E Stat Nonlin Soft Matter Phys. 2011 Dec;84(6 Pt 1):061602. doi: 10.1103/PhysRevE.84.061602. Epub 2011 Dec 1.
Phys Rev E Stat Nonlin Soft Matter Phys. 2011.
PMID: 22304097
Coarse-graining MARTINI model for molecular-dynamics simulations of the wetting properties of graphitic surfaces with non-ionic, long-chain, and T-shaped surfactants.
Sergi D, Scocchi G, Ortona A.
Sergi D, et al. Among authors: scocchi g.
J Chem Phys. 2012 Sep 7;137(9):094904. doi: 10.1063/1.4747827.
J Chem Phys. 2012.
PMID: 22957591
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Polymer-clay nanocomposites: a multiscale molecular modeling approach.
Scocchi G, Posocco P, Fermeglia M, Pricl S.
Scocchi G, et al.
J Phys Chem B. 2007 Mar 8;111(9):2143-51. doi: 10.1021/jp067649w. Epub 2007 Feb 10.
J Phys Chem B. 2007.
PMID: 17291032
Free article.
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A complete multiscale modelling approach for polymer-clay nanocomposites.
Scocchi G, Posocco P, Handgraaf JW, Fraaije JG, Fermeglia M, Pricl S.
Scocchi G, et al.
Chemistry. 2009 Aug 3;15(31):7586-92. doi: 10.1002/chem.200900995.
Chemistry. 2009.
PMID: 19575427
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