GMTKN55 CDIE20

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

P26 R25 R22 P44 R49 P43 R47 R40 P20 R46 P45 R48 P60 R52 P56 P51 P40 P47 R43 R44 P49 P22 R28 P25 R21 R26 R45 P48 P46 R20 R29 R51 R56 P52 R60 R57

Reactions

1: R20 -> P20, energy = -0.005258884752

2: R21 -> P20, energy = 0.007011846336000001

3: R22 -> P22, energy = -0.009402248496

4: R25 -> P25, energy = -0.007649286912

5: R26 -> P26, energy = -0.0039840036

6: R28 -> P26, energy = 0.00637440576

7: R29 -> P25, energy = 0.00717120648

8: R40 -> P40, energy = 0.002709122448

9: R43 -> P43, energy = 0.004621444176

10: R44 -> P44, energy = 0.005896325328

11: R45 -> P45, energy = 0.001912321728

12: R46 -> P46, energy = 0.005896325328

13: R47 -> P47, energy = 0.006055685472

14: R48 -> P48, energy = 0.007011846336000001

15: R49 -> P49, energy = 0.0066931260480000004

16: R51 -> P51, energy = 0.002549762304

17: R52 -> P52, energy = 0.0066931260480000004

18: R56 -> P56, energy = 0.009402248496

19: R57 -> P51, energy = 0.009242888352

20: R60 -> P60, energy = 0.013704972384