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Comparison between experimental , and simulated ion-pair association free energies ΔG. Unless otherwise noted, simulation values are computed using r c = 6 Å. Results from DFT-based models and the ECW-TL-LNOCCSD(T) model are shown, with the latter exhibiting improved agreement with experiment. For ECW-TL-LNOCCSD(T), results obtained with r c = 5 Å are also included to indicate the uncertainty associated with the cutoff choice and finite size effects.
