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. Author manuscript; available in PMC: 2019 Jul 1.
Published in final edited form as: J Chem Theory Comput. 2019 May 9;15(6):3854–3867. doi: 10.1021/acs.jctc.9b00016

Figure 3:

Figure 3:

Deviations from experiment for the free energy of transferring a water molecule from the water phase into the hexadecane phase versus the dipole moment.