GMTKN55 HEAVY28 --------------- 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 ^^^^^^^^^ h2o h2s pbh4_hbr teh2_2 pbh4_bih3 sbh3_hi teh2_nh3 sbh3 teh2_hi pbh4_2 bih3_h2s teh2_hbr bih3_h2o bih3 sbh3_h2s sbh3_h2o teh2_hcl pbh4_hcl sbh3_hbr sbh3_2 teh2 sbh3_nh3 bih3_hcl hcl pbh4_hi bih3_hi hi hbr pbh4_teh2 pbh4 pbh4_h2o nh3 bih3_2 bih3_nh3 sbh3_hcl teh2_h2o bih3_hbr teh2_h2s Reactions ^^^^^^^^^ | 1: bih3_2 -> 2bih3, energy = 0.0018485776704 | 2: bih3_h2o -> bih3 + h2o, energy = 0.0039680675856 | 3: bih3_h2s -> bih3 + h2s, energy = 0.0021672979584000003 | 4: bih3_hcl -> bih3 + hcl, energy = 0.0012270731088 | 5: bih3_hbr -> bih3 + hbr, energy = 0.0015617294112 | 6: bih3_hi -> bih3 + hi, energy = 0.002071681872 | 7: bih3_nh3 -> bih3 + nh3, energy = 0.000956160864 | 8: pbh4_2 -> 2pbh4, energy = 0.0019920018 | 9: pbh4_bih3 -> pbh4 + bih3, energy = 0.0008764807920000001 | 10: pbh4_h2o -> pbh4 + h2o, energy = 0.0005736965184 | 11: pbh4_hcl -> pbh4 + hcl, energy = 0.00119520108 | 12: pbh4_hbr -> pbh4 + hbr, energy = 0.0014820493392000002 | 13: pbh4_hi -> pbh4 + hi, energy = 0.0018804496992 | 14: pbh4_teh2 -> pbh4 + teh2, energy = 0.001035840936 | 15: sbh3_2 -> 2sbh3, energy = 0.0020398098432 | 16: sbh3_h2o -> sbh3 + h2o, energy = 0.0025019542608000003 | 17: sbh3_h2s -> sbh3 + h2s, energy = 0.0016892175264000002 | 18: sbh3_hcl -> sbh3 + hcl, energy = 0.0032190749088000003 | 19: sbh3_hbr -> sbh3 + hbr, energy = 0.0030119067215999998 | 20: sbh3_hi -> sbh3 + hi, energy = 0.0023744661456 | 21: sbh3_nh3 -> sbh3 + nh3, energy = 0.0045258280896 | 22: teh2_2 -> 2teh2, energy = 0.0008286727488 | 23: teh2_h2o -> teh2 + h2o, energy = 0.0010836489792000002 | 24: teh2_h2s -> teh2 + h2s, energy = 0.0007649286912 | 25: teh2_hcl -> teh2 + hcl, energy = 0.0019601297712 | 26: teh2_hbr -> teh2 + hbr, energy = 0.0019441937568 | 27: teh2_hi -> teh2 + hi, energy = 0.001274881152 | 28: teh2_nh3 -> teh2 + nh3, energy = 0.005338564824