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• W4293522019 abstract "This study investigated the manner in which simple-fluid models can accurately reproduce the hydration entropy values obtained using angle-dependent integral equation theory combined with the multipolar water model. Three simple-fluid models were investigated: a hard-sphere fluid model, fluid model wherein spheres interact with a potential similar to the Lennard-Jones (LJ) potential (LJ-like fluid model), and fluid model wherein spheres interact with an LJ-Gauss potential. By computing the solvation entropy using the integral equation theory, it was found that the hydration entropy values for hard-sphere solutes and solutes with polyatomic structures were accurately reproduced using the LJ-like fluid model with suitable tuning parameters." @default.
• W4293522019 created "2022-08-30" @default.
• W4293522019 creator A5079022350 @default.
• W4293522019 date "2022-09-15" @default.
• W4293522019 modified "2023-10-14" @default.
• W4293522019 title "Simple-Fluid Model for Accurate Reproduction of Hydration Entropy" @default.
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• W4293522019 doi "https://doi.org/10.7566/jpsj.91.094802" @default.
• W4293522019 hasPublicationYear "2022" @default.
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