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- W2012169933 abstract "Differences between water and nonpolar solvents in the solvation structure and thermodynamics for nonpolar solutes have been examined by applying an integral equation method to single-site, model solvents. The contact distribution function of water for a spherical solute with radius larger than 1.2 Å is very well approximated by that of nonpolar solvent particles with appropriately chosen radius. Significant difference is found between the contact densities of water and nonpolar solvents for a solute with radius smaller than 1.0 Å, which is a manifestation of the structured nature of water. For the present model of water, however, contribution of this difference to the solution thermodynamics is small for the solutes with a size of actual molecules. The effective radius of water molecules decreases linearly with increasing temperature from 25° to 100°C." @default.
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- W2012169933 date "1989-12-15" @default.
- W2012169933 modified "2023-09-24" @default.
- W2012169933 title "Hydrophobic Hydration of Nonpolar Solutes. I. Comparison of the Solvation Structure between Water and Hard-Sphere Solvents" @default.
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- W2012169933 doi "https://doi.org/10.1143/jpsj.58.4643" @default.
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