GMTKN55 DIPCS10

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

be_2+ h2s c2h6 c4h4 c2h6_2+ n2h2 be h2s_2+ mg_2+ mg ph3 ph3_2+ c2h4 ch2o_2+ c4h4_2+ n2h2_2+ c2h4_2+ nh3 nh3_2+ ch2o

Reactions

1: c4h4 -> c4h4_2+, energy = 0.8433338820480001

2: c2h6 -> c2h6_2+, energy = 1.0630915206240001

3: c2h4 -> c2h4_2+, energy = 1.045083824352

4: n2h2 -> n2h2_2+, energy = 0.999028742736

5: nh3 -> nh3_2+, energy = 1.23743151816

6: ch2o -> ch2o_2+, energy = 1.191376436544

7: h2s -> h2s_2+, energy = 1.16810985552

8: ph3 -> ph3_2+, energy = 1.0352034954240001

9: mg -> mg_2+, energy = 0.832019311824

10: be -> be_2+, energy = 1.011618194112