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. 2019 Feb 8;15(3):1743–1760. doi: 10.1021/acs.jctc.8b01265

Table 6. Mean Absolute Errors in Heats of Formation and Enthalpy Changes at 298 K (kcal/mol) Calculated with the OMx, OMx-D3T, and ODMx Methods for the G2G3-CHNOF Set and Its Subsets.

subset N OM2 OM2-D3T ODM2 OM3 OM3-D3T ODM3
Heats of Formation
G2 93 3.37 4.01 3.52 3.83 5.04 3.93
G3 52 3.18 6.30 3.11 3.71 9.24 3.06
ALKANES28 22 1.91 9.24 1.15 0.72 15.76 0.63
Enthalpy Changes at 298 K
ALKANES28 6 0.61 0.21 0.34 1.48 0.90 1.06