GMTKN55 G21EA

References

GMTKN55: https://www.chemie.uni-bonn.de/grimme/de/software/gmtkn/gmtkn55

L. Goerigk, A. Hansen. C. A. Bauer, S. Ehrlich, A. Najibi and S. Grimme in Phys. Chem. Chem. Phys., 2017: https://doi.org/10.1039/C7CP04913G

Molecules

EA_c- EA_9 EA_21n EA_f EA_o EA_8 EA_22n EA_s EA_17 EA_16n EA_10 EA_19 EA_21 EA_15n EA_20 EA_8n EA_18 EA_11 EA_16 EA_11n EA_cl- EA_12n EA_18n EA_si- EA_25n EA_f- EA_24n EA_cl EA_c EA_p EA_o- EA_13n EA_13 EA_14 EA_19n EA_22 EA_25 EA_10n EA_24 EA_23 EA_15 EA_12 EA_9n EA_14n EA_p- EA_si EA_17n EA_s- EA_23n EA_20n

Reactions

1: EA_c- -> EA_c, energy = 0.046533162048

2: EA_o- -> EA_o, energy = 0.05370436852800001

3: EA_f- -> EA_f, energy = 0.12493835289600001

4: EA_si- -> EA_si, energy = 0.051154606224000004

5: EA_p- -> EA_p, energy = 0.027569304912000003

6: EA_s- -> EA_s, energy = 0.07649286912

7: EA_cl- -> EA_cl, energy = 0.13306572024

8: EA_8 -> EA_8n, energy = 0.044461480176

9: EA_9 -> EA_9n, energy = 0.021354259296

10: EA_10 -> EA_10n, energy = 0.001912321728

11: EA_11 -> EA_11n, energy = 0.013226891952

12: EA_12 -> EA_12n, energy = 0.026772504192000002

13: EA_13 -> EA_13n, energy = 0.06645318004800001

14: EA_14 -> EA_14n, energy = 0.046692522192

15: EA_15 -> EA_15n, energy = 0.039999396144000006

16: EA_16 -> EA_16n, energy = 0.050039085216

17: EA_17 -> EA_17n, energy = 0.03744963384

18: EA_18 -> EA_18n, energy = 0.045895721472

19: EA_19 -> EA_19n, energy = 0.086373198048

20: EA_20 -> EA_20n, energy = 0.01513921368

21: EA_21 -> EA_21n, energy = -0.000318720288

22: EA_22 -> EA_22n, energy = 0.14262732888000001

23: EA_23 -> EA_23n, energy = 0.039680675856

24: EA_24 -> EA_24n, energy = 0.06055685472

25: EA_25 -> EA_25n, energy = 0.08716999876800001