GMTKN55 DARC ------------ 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 ^^^^^^^^^ P4 P3 P2 P5 P10 P7X P9X butadiene cpdiene maleinNH ethine chdiene P7 P9 P10X malein P8 P6 P1 P8X furane ethene Reactions ^^^^^^^^^ | 1: ethene + butadiene -> P1, energy = -0.072349505376 | 2: ethine + butadiene -> P2, energy = -0.096890967552 | 3: ethene + cpdiene -> P3, energy = -0.047648683056 | 4: ethine + cpdiene -> P4, energy = -0.053545008384000004 | 5: ethene + chdiene -> P5, energy = -0.059919414144000004 | 6: ethine + chdiene -> P6, energy = -0.07808647056 | 7: furane + malein -> P7, energy = -0.02231042016 | 8: furane + malein -> P7X, energy = -0.025338262896 | 9: furane + maleinNH -> P8, energy = -0.026772504192000002 | 10: furane + maleinNH -> P8X, energy = -0.030119067216 | 11: cpdiene + malein -> P9, energy = -0.050517165648 | 12: cpdiene + malein -> P9X, energy = -0.05131396636800001 | 13: cpdiene + maleinNH -> P10, energy = -0.054501169248000005 | 14: cpdiene + maleinNH -> P10X, energy = -0.055138609824000005