GMTKN55 BHDIV10

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

ed9 ed7 ed1 ed6 ed8 ts5 ts2 ts3 ts4 ed3 ed4 ed5 ed2 ed10 ts8 ts1 ts6 ts7 ts9 ts10

Reactions

1: ed1 -> ts1, energy = 0.040875876936

2: ed2 -> ts2, energy = 0.09067592193599999

3: ed3 -> ts3, energy = 0.0582142606032

4: ed4 -> ts4, energy = 0.1532566504848

5: ed5 -> ts5, energy = 0.0254020069536

6: ed6 -> ts6, energy = 0.021736723641600002

7: ed7 -> ts7, energy = 0.0438081035856

8: ed8 -> ts8, energy = 0.08006253634560001

9: ed9 -> ts9, energy = 0.10492271880960001

10: ed10 -> ts10, energy = 0.10347254149920002