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. 2011 Jun 4;38(1):49–59. doi: 10.1007/s10867-011-9229-5

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]