Data set GMTKN55_MB16-43

Decomposition energies of artificial molecules

The data set contains 43 items.

Downloads

Here you can download the data set definition file (in YAML format), an archive of the geometries and a dictionary file assigning the system names to the geometry file.

References

1. Korth, M.; Grimme, S. J. Chem. Theory Comput. 2009, 5, 993-1003.

Geometries

Reference energies

W1-F12