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Dataset for: Molecular scale hydrophobic interactions between hard sphere reference solutes are attractive and endothermic

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DataONE2025-02-04 更新2025-04-26 收录
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The osmotic second virial coefficients, B2, for atomic-sized hard spheres in water are attractive (B2 < 0) and become more attractive with increasing temperature (ΔB2/ΔT < 0) in the temperature range 300 K ≤ T ≤ 360 K. Thus, these hydrophobic interactions are attractive and endothermic at moderate temperatures. Hydrophobic interactions between atomic-sized hard spheres in water are more attractive than predicted by the available statistical mechanical theory. These results constitute an initial step toward detailed molecular theory of additional intermolecular interaction features, specifically, attractive interactions associated with hydrophobic solutes. Dataset supporting publication: Molecular scale hydrophobic interactions between hard sphere reference solutes are attractive and endothermic, Proceedings of the National Academy of Sciences of the United States of America, 2013, 110, 20557 doi:10.1073/pnas.1312458110.
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2025-02-05
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