Table 1. Final parameter set and selected properties of the polarizable water model.
| Parameters | Propertiesa | ||
| charge WP,WM | q = ±0.46 | density | 1043 kg m−3 |
| bond W-WP, W-WM | l = 0.14 nm | dielectric constant | 75.6 |
| angle WP-W-WM | θ = 0 rad | dipole moment | 4.9 Debye |
| Kθ = 4.2 kJ mol−1 rad−2 | self diffusion | 2.5 10−5 cm2 s−1 | |
| LJW-W | ε = 4.0 kJ mol−1 | hydration free energy | −18.7 kJ mol−1 |
| σ = 0.47 nm | freezing temperature | 282±3 K | |
| relative screening | εr = 2.5 | air/water surface tension | 30.5 mN/m |
a
All properties obtained at T = 300 K.