GMTKN24 - A database for general main group thermochemistry, kinetics, and non-covalent interactions

This web site is an overview of the GMTKN24 database, recently presented by
L. Goerigk and S. Grimme in J. Chem. Theory Comput. 2010, 6, 107-126.
Below, a list with links to all 24 subsets is shown. For each subset, the relevant reference values are given.
Furthermore, all necessary geometries (in TURBOMOLE format) are available for download (as zip files).
All results for all density functionals tested so far are also given.
This web site was last updated on 04/20/2010.


Weighted total mean absolute deviations

A list of weighted total mean absolute deviations (WTMADs) for a variety of density functionals can be found here.

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