GMTKN55 BSR36

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

h10 c2h6 h11 r14 r13 h2 h5 r12 r15 h4 h3 c1 r7 r9 r8 r1 r6 h13 h14 ch4 h15 h12 h6 h1 h8 r10 h9 h7 r16 r11 c3 c4 c5 c2 r3 r4 r5 r2

Reactions

1: h1 + 4ch4 -> 5c2h6, energy = 0.015202957737599998

2: h2 + 4ch4 -> 5c2h6, energy = 0.01513921368

3: h3 + 4ch4 -> 5c2h6, energy = 0.0176730399696

4: h4 + 4ch4 -> 5c2h6, energy = 0.014103372744

5: h5 + 4ch4 -> 5c2h6, energy = 0.013768716441600002

6: h6 + 5ch4 -> 6c2h6, energy = 0.0172268315664

7: h7 + 5ch4 -> 6c2h6, energy = 0.0203024823456

8: h8 + 5ch4 -> 6c2h6, energy = 0.018645136848

9: h9 + 5ch4 -> 6c2h6, energy = 0.021035539008

10: h10 + 5ch4 -> 6c2h6, energy = 0.0176411679408

11: h11 + 5ch4 -> 6c2h6, energy = 0.0199040819856

12: h12 + 5ch4 -> 6c2h6, energy = 0.019680977784

13: h13 + 5ch4 -> 6c2h6, energy = 0.017513679825600002

14: h14 + 5ch4 -> 6c2h6, energy = 0.0156651021552

15: h15 + 6ch4 -> 7c2h6, energy = 0.0227406925488

16: r1 + 5ch4 -> 5c2h6, energy = 0.0035696672256000004

17: r2 + 6ch4 -> 6c2h6, energy = 0.016828431206400003

18: r3 + 6ch4 -> 6c2h6, energy = 0.0097369047984

19: r4 + 7ch4 -> 7c2h6, energy = 0.0233781331248

20: r5 + 7ch4 -> 7c2h6, energy = 0.0162706707024

21: r6 + 7ch4 -> 7c2h6, energy = 0.015585422083199999

22: r7 + 7ch4 -> 7c2h6, energy = 0.0138962045568

23: r8 + 7ch4 -> 7c2h6, energy = 0.016095374544

24: r9 + 7ch4 -> 7c2h6, energy = 0.015091405636800002

25: r10 + 12ch4 -> 11c2h6, energy = 0.029561306712000003

26: r11 + 12ch4 -> 11c2h6, energy = 0.014230860859199999

27: r12 + 12ch4 -> 11c2h6, energy = 0.023202836966400003

28: r13 + 12ch4 -> 11c2h6, energy = 0.0406687087488

29: r14 + 12ch4 -> 11c2h6, energy = 0.036429728918399996

30: r15 + 14ch4 -> 13c2h6, energy = 0.04342563924

31: r16 + 12ch4 -> 12c2h6, energy = 0.039776291942400004

32: c1 + 14ch4 -> 12c2h6, energy = 0.0427403906208

33: c2 + 16ch4 -> 14c2h6, energy = 0.06109867920960001

34: c3 + 16ch4 -> 14c2h6, energy = 0.0495450687696

35: c4 + 18ch4 -> 16c2h6, energy = 0.0793932237408

36: c5 + 22ch4 -> 18c2h6, energy = 0.07244512146240001