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. 2014 Feb 25;10(4):1563–1575. doi: 10.1021/ct401111c

Figure 6.

Figure 6

Trade-off between accuracy and calculation time. Accuracies are presented as RMSE across the A24, Ionic, S22×5, S66×8, and X31×10 data sets, while calculation times are averaged for the A24 data set alone. Note that the post hoc D3 dispersion corrections and the SAPT0 fitting require negligible calculation time.