Data set GMTKN_DARC

reaction energies of Dielsāˆ’Alder reactions

The data set contains 14 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. Johnson, E. R.; Mori-Sanchez, P.; Cohen, A. J; Yang, W. J. Chem. Phys. 2008, 129, 204112.