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. Author manuscript; available in PMC: 2014 Jan 7.
Published in final edited form as: Phys Chem Chem Phys. 2012 Nov 13;15(1):129–141. doi: 10.1039/c2cp41894k

Fig. 2.

Fig. 2

Consistency of reaction field energies (ΔG, kcal mol−1) calculated by the AUG and WHA methods for small molecules. Upper: correlation of the reaction field energies between AUG and WHA at grid spacing 1/8 Å, lower: deviation (%) with respect to energies by the WHA method versus energies by the WHA method. The line in the upper graph is y = x.