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

Table 4. Evaluation of PMx Methods with and without Problematic Dimer Casesa.

  original
no bromobenzene trimethylamine or HF
  PM6-DH+ PM6-DH2 PM6-DH2X PM7 PM6-DH+ PM6-DH2 PM6-DH2X PM7
A24 1.86 1.83 1.83 2.31 0.88 0.82 0.82 0.93
X31×10 3.68 3.69 3.03 2.69 1.88 1.92 2.26 1.72
all 2.16 2.20 1.89 1.76 1.44 1.48 1.59 1.52
a

Errors are presented as RMSE values, in kcal/mol.