GMTKN55 G2RC

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

L. Goerigk; S. Grimme, J. Chem. Theory Comput., 2010, 6, 107-126: https://doi.org/10.1021/ct900489g

Molecules

61 59 66 104 68 57 32 56 51 58 67 94 60 34 33 18 11 45 73 118 6 1 26 8 21 121 126 128 88 117 62 100 30 39 106 52 97 24 23 82 40 47 113 13 14 22 25

Reactions

1: 118 -> 117 + 13, energy = -0.0035537312112

2: 40 + 1 -> 104, energy = -0.0036015392543999997

3: 113 -> 30 + 8, energy = -0.0034740511392

4: 52 + 1 -> 218, energy = -0.006533765903999999

5: 30 + 13 -> 40 + 1, energy = -0.011314570224

6: 128 + 13 -> 126 + 22, energy = -0.017051535407999998

7: 100 + 13 -> 106, energy = -0.031027420036799997

8: 25 + 14 -> 121, energy = -0.042979430836799996

9: 39 + 45 -> 251, energy = -0.043505319312

10: 58 + 59 -> 57 + 60, energy = -0.043266279096

11: 67 + 61 -> 66 + 62, energy = -0.0396647398416

12: 32 + 1 -> 33, energy = -0.0469474984224

13: 25 + 26 -> 88, energy = -0.0521267031024

14: 47 + 31 -> 18 + 13, energy = -0.057879604300800004

15: 34 + 31 -> 211, energy = -0.0628357047792

16: 8 + 245 -> 97 + 222, energy = -0.07732154186880001

17: 25 + 1 -> 26, energy = -0.078405190848

18: 56 + 31 -> 21 + 213, energy = -0.0982774008048

19: 30 + 31 -> 13 + 8, energy = -0.10382313381600002

20: 73 + 1 -> 39 + 13, energy = -0.10979913921600001

21: 68 + 1 -> 34 + 13, energy = -0.1294163729424

22: 26 + 6 -> 82, energy = -0.1738778531184

23: 1 + 39 -> 214, energy = -0.21577363497600002

24: 325 -> 94, energy = -0.2454783658176

25: 23 + 39 -> 224, energy = -0.34439320719840005