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WCPT18 results

Density functional: PBE

Reference values and deviations (result - reference) of the respective functional
w/o dispersion correction, D3(0) dispersion correction, and D3(BJ) dispersion correction in kcal/mol.

# Systems Stoichiometry Ref. without D3(0) D3(BJ)
1 reac1 ts1 -1 1 36.76 -5.60 -5.49 -5.62
2 reac2 ts2 -1 1 36.21 -6.81 -6.80 -6.82
3 reac3 ts3 -1 1 60.95 -8.85 -8.81 -8.93
4 reac4 ts4 -1 1 47.52 -6.42 -6.42 -6.41
5 reac5 ts5 -1 1 65.68 -7.71 -7.68 -7.77
6 reac6 ts6 -1 1 81.24 -8.69 -8.69 -8.74
7 reac7 ts7 -1 1 32.00 -4.95 -4.80 -4.98
8 reac8 ts8 -1 1 28.97 -6.22 -6.14 -6.22
9 reac9 ts9 -1 1 58.80 -9.21 -9.08 -9.25
10 reac1 h2o ts1h2o -1 -1 1 5.40 -7.25 -7.92 -8.39
11 reac2 h2o ts2h2o -1 -1 1 2.68 -8.54 -9.31 -9.70
12 reac3 h2o ts3h2o -1 -1 1 28.78 -12.33 -13.32 -13.75
13 reac4 h2o ts4h2o -1 -1 1 8.68 -6.96 -7.84 -8.26
14 reac5 h2o ts5h2o -1 -1 1 33.89 -11.62 -12.65 -13.02
15 reac6 h2o ts6h2o -1 -1 1 59.63 -15.41 -16.67 -17.14
16 reac7 h2o ts7h2o -1 -1 1 5.83 -7.34 -8.11 -8.75
17 reac8 h2o ts8h2o -1 -1 1 3.54 -9.22 -10.10 -10.71
18 reac9 h2o ts9h2o -1 -1 1 33.22 -11.84 -12.95 -13.56
MD -8.61 -9.04 -9.34
MAD 8.61 9.04 9.34
RMSD 9.00 9.53 9.85