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. Author manuscript; available in PMC: 2016 Mar 1.
Published in final edited form as: J Phys Chem B. 2015 Feb 26;119(29):9423–9437. doi: 10.1021/jp510896n

Table 6.

Miscellaneous bulk water properties and ion solvation free energies for the AMOEBA14 water model. All energies are in kcal/mol. Distances are in Å, viscosity in cP, and diffusion is in 10−5 cm2/s.

Property Expt AMOEBA03 AMOEBA14 iAMOEBA
Viscosity 0.896b 1.08 0.900 0.85
Self-Diffusion Constant 2.29c 2.0 1.99 2.54
Size-Corrected Diffusiona 2.3 2.36 2.93
Surface Tension (300K) 71.73d 64 68.3
Surface Tension (298K) 71.97d 69.21
Na+ ΔG(Hydration) −86.8e −89.9 −91.91
Cl ΔG(Hydration) −87.2e −84.6 −89.25
Na+-H2O Dimer Distance 2.23f 2.232 2.252 2.47
Na+-H2O Dissociation Energy −23.6f −23.53 −23.23 −21.81
Cl-H2O Dimer Distance 3.103g 3.151 3.147 2.965
Cl-H2O Dissociation Energy −15.4g −15.99 −15.72 −18.11
a

Reference 83.

b

Reference 82.

c

Reference 102.

d

Reference 84.

e

Reference 103.

f

Reference 104.

g

Reference 105.