GMTKN55 G2RC ------------ 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 | L. Goerigk; S. Grimme, J. Chem. Theory Comput., 2010, 6, 107-126: https://doi.org/10.1021/ct900489g Molecules ^^^^^^^^^ 61 59 66 104 68 57 32 56 51 58 67 94 60 34 33 18 11 45 73 118 6 1 26 8 21 121 126 128 88 117 62 100 30 39 106 52 97 24 23 82 40 47 113 13 14 22 25 Reactions ^^^^^^^^^ | 1: 118 -> 117 + 13, energy = -0.0035537312112 | 2: 40 + 1 -> 104, energy = -0.0036015392543999997 | 3: 113 -> 30 + 8, energy = -0.0034740511392 | 4: 52 + 1 -> 218, energy = -0.006533765903999999 | 5: 30 + 13 -> 40 + 1, energy = -0.011314570224 | 6: 128 + 13 -> 126 + 22, energy = -0.017051535407999998 | 7: 100 + 13 -> 106, energy = -0.031027420036799997 | 8: 25 + 14 -> 121, energy = -0.042979430836799996 | 9: 39 + 45 -> 251, energy = -0.043505319312 | 10: 58 + 59 -> 57 + 60, energy = -0.043266279096 | 11: 67 + 61 -> 66 + 62, energy = -0.0396647398416 | 12: 32 + 1 -> 33, energy = -0.0469474984224 | 13: 25 + 26 -> 88, energy = -0.0521267031024 | 14: 47 + 31 -> 18 + 13, energy = -0.057879604300800004 | 15: 34 + 31 -> 211, energy = -0.0628357047792 | 16: 8 + 245 -> 97 + 222, energy = -0.07732154186880001 | 17: 25 + 1 -> 26, energy = -0.078405190848 | 18: 56 + 31 -> 21 + 213, energy = -0.0982774008048 | 19: 30 + 31 -> 13 + 8, energy = -0.10382313381600002 | 20: 73 + 1 -> 39 + 13, energy = -0.10979913921600001 | 21: 68 + 1 -> 34 + 13, energy = -0.1294163729424 | 22: 26 + 6 -> 82, energy = -0.1738778531184 | 23: 1 + 39 -> 214, energy = -0.21577363497600002 | 24: 325 -> 94, energy = -0.2454783658176 | 25: 23 + 39 -> 224, energy = -0.34439320719840005