. Author manuscript; available in PMC: 2013 Jul 19.

Published in final edited form as: J Phys Chem B. 2012 Jul 5;116(28):7999–8008. doi: 10.1021/jp212117d

Table 3.

Comparison of simulated and experimental g_OO(r) parameters for various polarizable water models. In each table cell, the first value is the position (Å), and the second value is the height/depth.

	1^st peak	1^st minimum	2^nd peak	2^nd minimum	3^rd peak
EXP	2.73, 2.83	3.41, 0.79	4.44, 1.13	5.51, 0.86	6.66, 1.07
POL3	2.73, 2.96	3.30, 0.85	4.40, 1.08	5.62, 0.91	6.80, 1.04
POL3-LT	2.73, 3.00	3.29, 0.85	4.41, 1.08	5.65, 0.91	6.79, 1.04
POL3-ET	2.74, 2.97	3.30, 0.85	4.40, 1.08	5.62, 0.91	6.81, 1.04
DA	2.78, 3.19	3.31, 0.85	4.43, 1.11	5.60, 0.90	6.72, 1.06
NDA	2.79, 2.95	3.42, 0.90	4.43, 1.05	5.63, 0.90	6.77, 1.04
DC	2.81, 3.04	3.35, 0.79	4.36, 1.06	5.68, 0.87	6.83, 1.02