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. Author manuscript; available in PMC: 2022 Nov 14.
Published in final edited form as: Phys Chem Chem Phys. 2012 Jan 27;14(9):3089–3102. doi: 10.1039/c2cp23329k

Fig. 1. Correlation between polarizable simulation and their scale factors.

Fig. 1

Seff (black full circle) is based on the reduction of Coulombic interaction between non-polarized (non-scaled) and the polarized system. S (gray circles) is computed by 1/. The charge-reduced simulation with a scaling factor of Seff = 0.90, 0.85, 0.80 and 0.74 correspond to a polarizable system with 39.4%, 58.6%, 77.9% and 100% polarizability, respectively.