Table 7.

Selected properties of some water models used in MD simulation. HIPPO values are from the current work. Parameterization and data for other models are taken from: AMOEBA+,⁵³ AMOEBA03,⁹ AMOEBA14,¹¹⁰ TTM3-F,¹¹¹ SWM4-NDP and SWM6,¹¹² MB-POL,⁶² MB-UCB,¹¹³ TIP3P,¹¹⁴ TIP4P-Ew¹¹⁵ and TIP5P.¹¹⁶ Dimer energy and heat of vaporization are in kcal/mol, density in g/cm³, and diffusion coefficient as 10⁻⁵ cm²/s.

Model	Edimer	Density	ΔHvap	Diffusion Coefficient	Dielectric Constant
Reference	−4.97	0.997	10.51	2.30	78.4
HIPPO	−4.96	0.997	10.47	2.56	76.9
AMOEBA+	−4.85	0.998	10.6	2.14	78.8
AMOEBA03	−4.96	1.000	10.48	2.02	81
AMOEBA14	−4.64	0.998	10.63	2.36	79.4
TTM3-F	−5.18	0.994	11.4	2.37	94.4
SWM4-NDP	−5.15	0.994	10.45	2.85	78.0
SWM6	−5.27	0.996	10.52	2.14	78.1
MB-POL	−5.05	1.007	10.93	2.8	68.4
MB-UCB	−5.06	0.999	10.58	–	–
TIP3P	−6.02	0.982	10.45	6.11	82
TIP4P-Ew	−6.18	0.995	10.58	2.44	63.9
TIP5P	−6.78	0.979	10.46	2.78	92