GMTKN55 RC21

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

3e 1p3 7p6 9e 3int1 7p1 10p2 9p1 1p2 3p1 10e 2p3 6p3 2p2 4e 4p 7e 3int2 7p2 6e 7p5 pr 10p1 3p3 5e 7p4 7p3 3int3 9p2 1p1 5p 3p2 6int me 6p1 2p1 ethylene 8p1 1e 2e 8e

Reactions

1: 1e -> 1p1 + me, energy = 0.0373380817392

2: 1e -> 1p2 + 1p3, energy = 0.0424854143904

3: 2e -> 2p1 + me, energy = 0.0394256996256

4: 2e -> 2p2 + 2p3, energy = 0.0947236695936

5: 3e -> 3p1 + 3p2, energy = 0.0923173314192

6: 3e -> 3int1, energy = 0.0582620686464

7: 3e -> 3int2, energy = 0.0285414017904

8: 3e -> 3int3, energy = 0.026772504192000002

9: 3e -> 3p2 + 3p3, energy = 0.079441031784

10: 4e -> 4p + me, energy = 0.0719670410304

11: 5e -> 5p + me, energy = 0.035441696025599996

12: 6e -> 6int, energy = -0.010709001676799999

13: 6e -> 6p1 + ethylene, energy = 0.0338002865424

14: 6e -> 6p3 + me, energy = 0.0351070397232

15: 6e -> 1p2 + pr, energy = 0.044812072492800004

16: 7e -> 7p1 + 7p2, energy = -0.0011633290512

17: 7e -> 7p3 + 7p4, energy = 0.08073184895039999

18: 7e -> 7p5 + 7p6, energy = 0.0484136117472

19: 8e -> 8p1 + ethylene, energy = 0.07924979961119999

20: 9e -> 9p1 + 9p2, energy = 0.052286063246400005

21: 10e -> 10p1 + 10p2, energy = 0.2016861982464