Data set GMTKN30_DARC

reaction energies of Dielsāˆ’Alder reactions

The data set contains 14 items.


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.


  1. Johnson, E. R.; Mori-Sanchez, P.; Cohen, A. J; Yang, W. J. Chem. Phys. 2008, 129, 204112.