GMTKN55 RG18

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

c2h6 ne6 bzNe bzAr hfKr hfAr hfNe c2h2 kr ne2 hf ar bz ne ne4 ne3 ar2 kr2 kr3 ar3 ar4 c2h6Ne c2h2Ar c2h6Ar c2h2Ne

Reactions

1: ne2 -> 2ne, energy = 0.0001274881152

2: ar2 -> 2ar, energy = 0.00043027238880000005

3: kr2 -> 2kr, energy = 0.000637440576

4: ne3 -> 3ne, energy = 0.00043027238880000005

5: ar3 -> 3ar, energy = 0.0012270731088

6: kr3 -> 3kr, energy = 0.0018804496992

7: ne4 -> 4ne, energy = 0.0008605447776000001

8: ar4 -> 4ar, energy = 0.0024063381744

9: ne6 -> 6ne, energy = 0.0018007696271999999

10: hfNe -> ne + hf, energy = 0.0003665283312

11: hfAr -> ar + hf, energy = 0.0009402248496

12: hfKr -> kr + hf, energy = 0.0011473930368

13: c2h2Ne -> ne + c2h2, energy = 0.0001912321728

14: c2h2Ar -> ar + c2h2, energy = 0.0005258884752000001

15: c2h6Ne -> ne + c2h6, energy = 0.0003824643456

16: c2h6Ar -> ar + c2h6, energy = 0.0008605447776000001

17: bzNe -> ne + bz, energy = 0.000637440576

18: bzAr -> ar + bz, energy = 0.0017848336128000002