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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 III.

Parameters for the original and refit NonlinearPCM and LinearPCM models, and the corresponding reference electrode potential VSHE calibrated to experimental potentials of zero charge of single-crystalline Ag, Au and Cu surfaces.

Parameters
nc[a0-3]
t[Eh/a02]
VSHE [V]
NonlinearPCM 1.0 × 10−3 9.5 × 10−6 4.62±0.0917
Refit NonlinearPCM 2.2 × 10−3 2.6 × 10−5 4.33±0.09
LinearPCM 3.7 × 10−4 5.4 × 10−6 4.68±0.0917
Refit LinearPCM 1.4 × 10−3 4.2 × 10−5 4.10±0.05