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. 2017 Jun 13;147(16):161704. doi: 10.1063/1.4985605

FIG. 4.

FIG. 4.

Root-mean-squared error (RMSE) between binding energies calculated using various semi-empirical methods and reference values (see Table I), for the set of 15 dimers in the gas phase (gas) or solvated phase (aq). Error bars denote the 95% confidence interval, obtained via a boot-strapping procedure. See text for the discussion of the null models.