Table 2.
Comparison of water dimers
| Model | rOO (Å) | –ΔE (kJ/mol) |
|---|---|---|
| TIP3P [10] | 2.76 | 27.2 |
| TIP4P [10] | 2.75 | 26.1 |
| TIP5P [10] | 2.68 | 28.4 |
| POL5/TZ [44] | 2.90 | 20.8 |
| TIP4P/FQ [45] | 2.92 | 18.8 |
| Amoeba [46] | 2.89 | 20.8 |
| LEWIS | 2.88 | 25.9 |
| MP2 [43] | 2.91 | 20.5 |
| Experiment | 2.98 [40] | 22.8 [47] |
non-polarizable models tend have shorter dimers to improve liquid state properties [48]