Table 2. Regression Parameters. Linear Regression Parameters and Correlation Coefficients for the Fit of Experimental versus Calculated Hydration Entropy for the Individual Water Modelsa.
water model | intercept | slope | R2 |
---|---|---|---|
TIP3P | –5.0 (6.1) | 0.31 (0.03) | 0.942 |
SPC/E | –3.3 (5.0) | 0.30 (0.03) | 0.953 |
TIP4P | –8.0 (5.5) | 0.23 (0.03) | 0.920 |
TIP4Pew | –7.3 (4.3) | 0.23 (0.02) | 0.946 |
Intercepts are given in J mol–1 K–1. Standard errors of the fit parameters where obtained by error propagation of the data point errors and are given in parentheses.