Table 4. Force Field Parameters for Polarizable Water Models.

	COS/G3a	POL3b	Dang/Changc	SWM4-DPd	SWM6e
qO [e]	0.000000	–0.7300	0.0000	0.00000	0.28800
qH [e]	0.450672	0.3650	0.5190	0.55733	0.53070
qMW [e]	–0.901344		–1.0380	–1.11466	–1.13340
qLP [e]					–0.10800
rOH [Å]	1.0000	1.0000	0.9572	0.9572	0.9572
θHOH [deg]	109.47	109.47	104.52	104.52	104.52
σO [Å]	3.1746	3.204	3.2340	3.1803	3.1984
εO [kJ/mol]	0.9445	0.653	0.7636	0.8600	0.6778
αO [Å3]	1.250	0.528f	1.444	0.978	1.043
ε	107.5 ± 1.8h			78.9 ± 1.0h	71.9 ± 1.3h

^aFrom ref (295).

^bFrom ref (296).

^cFrom ref (297).

^dFrom ref (148).

^eFrom ref (294).

^fThe polarizability of the hydrogens is 0.170 ų.

^hFrom ref (290).