Structural and dynamical aspects of water in contact with a hydrophobic surface

. By means of molecular dynamics simulations we study the structure and dynamics of water molecules in contact with a model hydrophobic surface: a planar graphene-like layer. The analysis of the distributions of a local structural index indicates that the water molecules proximal to the graphene lay...

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Veröffentlicht in:The European physical journal. E, Soft matter and biological physics Soft matter and biological physics, 2010-05, Vol.32 (1), p.35-42
Hauptverfasser: Malaspina, D. C., Schulz, E. P., Alarcón, L. M., Frechero, M. A., Appignanesi, G. A.
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Sprache:eng
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