Journal article

A General Database for Main Group Thermochemistry, Kinetics, and Noncovalent Interactions - Assessment of Common and Reparameterized (meta-)GGA Density Functionals

Lars Goerigk, Stefan Grimme

Journal of Chemical Theory and Computation | AMER CHEMICAL SOC | Published : 2010

University of Melbourne Researchers


Funding Acknowledgements

This work was supported by the Fonds der Chemischen Industrie with a scholarship to L.G. We thank G. Csonka for providing Lis with the new reference data for the beta-D-glucopyranose conformers included in the SCONF subset and J. Martin for providing LIS with preprints of the alkane conformer study. We are also grateful to C. Muck-Lichtenfeld for his technical assistance.