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Bridging Gaussian Density Fluctuations from Microscopic to Macroscopic Volumes: Applications to Non-Polar Solute Hydration Thermodynamics

[Image: see text] The hydration of hydrophobic solutes is intimately related to the spontaneous formation of cavities in water through ambient density fluctuations. Information theory-based modeling and simulations have shown that water density fluctuations in small volumes are approximately Gaussia...

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Detalles Bibliográficos
Autores principales: Ashbaugh, Henry S., Vats, Mayank, Garde, Shekhar
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8389927/
https://www.ncbi.nlm.nih.gov/pubmed/34283590
http://dx.doi.org/10.1021/acs.jpcb.1c04087