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Bootstrap statistical comparison between predicted ΔH (all UC and NgB corrections) or Δε (uncorrected 3D-RISM and parameter free corrections) and ΔH from experiment for ions (Fawcett and Marcus datasets).
| ΔH/Δε
| |||||
|---|---|---|---|---|---|
| Slope | y-intercept | R2 | RMSE | MUE | |
| PSE-3 | 0.89(9) | −11(8) | 0.853(2) | 8.09(6) | 6.30(4) |
| UCT-PSE-3 | 0.83(9) | −17(9) | 0.869(2) | 7.84(5) | 6.00(4) |
| NgB-PSE-3 | 0.89(9) | −11(8) | 0.850(3) | 8.10(6) | 6.29(4) |
| PC+/3D-RISM-PSE-3 | 0.80(8) | −17(8) | 0.864(2) | 7.84(5) | 5.98(4) |
