GMTKN24, GMTKN30 and GMTKN55 Databases for general main group thermochemistry, kinetics, and non-covalent interactions

This web site is an overview of the GMTKN24 (L. Goerigk and S. Grimme in J. Chem. Theory Comput. 2010, 6, 107-126.) , the GMTKN30 (L. Goerigk and S. Grimme in J. Chem. Theory Comput. 2011, 7, 291-309 and in Phys. Chem. Chem. Phys. 2011, DOI: 10.1039/C0CP02984J. ) and the GMTKN55 database (L. Goerigk, A. Hansen. C. A. Bauer, S. Ehrlich, A. Najibi and S. Grimme in Phys. Chem. Chem. Phys., 2017, DOI 10.1039/C7CP04913G).


Click here to see all results and all subsets published in the original GMTMKN24 publication.

Click here to see all results and all subsets published in the GMTMKN30 publications.

Click here to see all results and all subsets published in the GMTMKN55 publications.

 

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