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. Author manuscript; available in PMC: 2018 Jan 16.
Published in final edited form as: J Phys Chem A. 2015 Nov 9;119(46):11329–11365. doi: 10.1021/acs.jpca.5b07908

Table 8.

Statistical Measures (kJ/mol) of the Deviations of Various Predictions of the Enthalpy of Formation at 298 K versus the Present Results for the B3LYP based Schemea

reference n MUD RMSD citation
Stein 26 20.70 5.78 78, 79
Alberty 19 13.10 3.97 80
Moiseeva 24 17.36 4.51 82, 83
Herndon 105 15.03 2.14 84
Armitage 25 15.16 3.84 81
Wang 32 5.15 1.09 85
Welsh 21 27.80 11.96 86
Yu 23 8.32 2.19 87
Blanquart 9 8.12 3.07 136
Rayne 25 15.20 3.40 137
Zauer 50 33.05 9.63 139
a

The table gives the number of data, n, used in computing the mean unsigned deviation, MUD, and the root mean square deviation, RMSD.