GMTKN30 ALK6

References

GMTKN30: https://www.chemie.uni-bonn.de/grimme/de/software/gmtkn/gmtkn30

L. Goerigk, and S. Grimme in Phys. J. Chem. Theory Comput., 2011: https://doi.org/10.1021/ct100466k

Molecules

na+ bz li2 bz_k+ k8 li+ bz_na+ bz_li+ na8 k2 k+ na2 li8

Reactions

1: bz_li+ -> li+ + bz, energy = 0.061194295296

2: bz_na+ -> na+ + bz, energy = 0.039840036

3: bz_k+ -> k+ + bz, energy = 0.030597147648

4: li8 -> 4li2, energy = 0.132587639808

5: na8 -> 4na2, energy = 0.087010638624

6: k8 -> 4k2, energy = 0.07505862782400001