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