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. 2017 Sep 26;117(19):12385–12414. doi: 10.1021/acs.chemrev.7b00259

Table 5. Parameters of Some Water Molecular Modelsa.

model type σ [Å] ε [kJ mol–1] l1 [Å] l2 [Å] q1 [e0] q2 [e0] θ [deg] ϕ [deg]
SPC a 3.166 0.65 1 0.41 –0.82 109.47
SPC/E a 3.166 0.65 1 0.4238 –0.8476 109.47
TIP3P a 3.15061 0.6364 0.9572 0.417 –0.834 104.52
iAMOEBAb a 3.6453 0.8235 0.9584 0.29701 –0.59402 106.48
TIP4P b 3.15365 0.648 0.9572 0.15 0.52 –1.04 104.52 52.26
TIP4P-Ew b 3.16435 0.680946 0.9572 0.125 0.52422 –1.04844 104.52 52.26
TIP4P/2005 b 3.1589 0.7749 0.9572 0.1546 0.5564 –1.1128 104.52 52.26
ST2 c 3.1 0.31694 1 0.8 0.24357 –0.24357 109.47 109.47
TIP5P c 3.12 0.6694 0.9572 0.7 0.241 –0.241 104.52 109.47
TIP5P-Ew c 3.097 0.7448 0.9572 0.7 0.241 –0.241 104.52 109.47
a

Data collected from ref (37).

b

iAMOEBA is a polarizable water model.