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. 2016 May 17;116(13):7501–7528. doi: 10.1021/acs.chemrev.5b00644

Table 2. Compendium of Structural, Energetic, and Thermodynamic Propertiesa.

4.2.

a

Calculated using different implicit polarizable water models as reported in the respective original studies. + indicates that the corresponding quantity is reported in the original references. All thermodynamic properties are given as percentage deviations of the calculated values with respect to the corresponding experimental data. Green circles: <5%; blue circles: 5%–10%; red circles: >10%. In cases where a range of temperatures was analyzed in the original studies, the average deviation is reported. g(r) = radial distribution functions, ρ = liquid density, ΔHvap = enthalpy of vaporization, Cp = heat capacity, D = diffusion coefficient, ε = dielectric constant, η = viscosity, κ = isothermal compressibility, α = thermal expansion coefficient, and TMD = temperature of maximum density.