GMTKN30 BSR36

References

GMTKN30: https://www.chemie.uni-bonn.de/grimme/de/software/gmtkn/gmtkn30

L. Goerigk, and S. Grimme in Phys. J. Chem. Theory Comput., 2011: https://doi.org/10.1021/ct100466k

Molecules

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

Reactions

1: h1 + 4ch4 -> 5c2h6, energy = 0.0156332301264

2: h2 + 4ch4 -> 5c2h6, energy = 0.015394189910400001

3: h3 + 4ch4 -> 5c2h6, energy = 0.0181192483728

4: h4 + 4ch4 -> 5c2h6, energy = 0.014406157017599999

5: h5 + 4ch4 -> 5c2h6, energy = 0.013880268542400001

6: h6 + 5ch4 -> 6c2h6, energy = 0.0173861917104

7: h7 + 5ch4 -> 6c2h6, energy = 0.020796498792

8: h8 + 5ch4 -> 6c2h6, energy = 0.0189479211216

9: h9 + 5ch4 -> 6c2h6, energy = 0.0215614274832

10: h10 + 5ch4 -> 6c2h6, energy = 0.018214864459199998

11: h11 + 5ch4 -> 6c2h6, energy = 0.020669010676800003

12: h12 + 5ch4 -> 6c2h6, energy = 0.0203502903888

13: h13 + 5ch4 -> 6c2h6, energy = 0.0178961441712

14: h14 + 5ch4 -> 6c2h6, energy = 0.016190990630400002

15: h15 + 6ch4 -> 7c2h6, energy = 0.023983701672

16: r1 + 5ch4 -> 5c2h6, energy = 0.0037927714271999997

17: r2 + 6ch4 -> 6c2h6, energy = 0.0170037273648

18: r3 + 6ch4 -> 6c2h6, energy = 0.010119369143999999

19: r4 + 7ch4 -> 7c2h6, energy = 0.023712789427200003

20: r5 + 7ch4 -> 7c2h6, energy = 0.016971855336

21: r6 + 7ch4 -> 7c2h6, energy = 0.0161113105584

22: r7 + 7ch4 -> 7c2h6, energy = 0.014549581147200001

23: r8 + 7ch4 -> 7c2h6, energy = 0.016700943091200002

24: r9 + 7ch4 -> 7c2h6, energy = 0.0156491661408

25: r10 + 12ch4 -> 11c2h6, energy = 0.030756507792000003

26: r11 + 12ch4 -> 11c2h6, energy = 0.0154101259248

27: r12 + 12ch4 -> 11c2h6, energy = 0.0242068058736

28: r13 + 12ch4 -> 11c2h6, energy = 0.041513317512

29: r14 + 12ch4 -> 11c2h6, energy = 0.037369953768

30: r15 + 14ch4 -> 13c2h6, energy = 0.0445570962624

31: r16 + 12ch4 -> 12c2h6, energy = 0.0404934125904

32: c1 + 14ch4 -> 12c2h6, energy = 0.0439196556864

33: c2 + 16ch4 -> 14c2h6, energy = 0.0630428729664

34: c3 + 16ch4 -> 14c2h6, energy = 0.0516645586848

35: c4 + 18ch4 -> 16c2h6, energy = 0.0819748580736

36: c5 + 22ch4 -> 18c2h6, energy = 0.07499488376640001