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Revealing the Frank–Evans “Iceberg” Structures within the Solvation Layer around Hydrophobic Solutes

[Image: see text] Using computer simulations, the structural properties of solvation water of three model hydrophobic molecules, methane and two fullerenes (C60 and C80), were studied. Systems were simulated at temperatures in the range of 250–298 K. By analyzing both the local ordering of the molec...

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Detalles Bibliográficos
Autores principales: Grabowska, Joanna, Kuffel, Anna, Zielkiewicz, Jan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7898264/
https://www.ncbi.nlm.nih.gov/pubmed/33539702
http://dx.doi.org/10.1021/acs.jpcb.0c09489