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. Author manuscript; available in PMC: 2018 Feb 28.
Published in final edited form as: J Chem Phys. 2017 Feb 28;146(8):084111. doi: 10.1063/1.4976971

TABLE II.

Mean absolute errors in kcal/mol (1 kcal/mol is 0.0434 eV) for NonlinearPCM and LinearPCM with original parameterization, and with refit nc and surface tension t, for the set of molecules, anions, and cations in Ref. 27.

Model Neutrals Cations Anions Combined
NonlinearPCM 1.28 16.08 27.03 7.55
Refit NonlinearPCM 1.44 14.40 27.61 7.51
LinearPCM 1.27 2.10 15.09 3.59
Refit LinearPCM 2.57 19.73 12.50 6.68