Empirical dispersion correction for DFT.[1]

Parameters are available (and automatically assigned) for following methods:

Method Functional Basis sets
DFT TPSS SVP, TZVP, 6-311++g(3df,3pd), def2-QZVP[2]
PBE TZVP, 6-311++g(3df,3pd)
B-LYP SVP, TZVP, 6-311++g(3df,3pd), def2-QZVP[2]
B3-LYP TZVP, 6-311++g(3df,3pd)
PM6[3]
  1. Jurečka, P.; Černý, J.; Hobza, P.; Salahub, D. J. Comput. Chem. 2007, 28, 555–569.
  2. Unpublished parameters by Jan Řezáč, fit to S22x5 data set
  3. Korth, M.; Pitoňák, M.; Řezáč, J.; Hobza, P. J. Chem. Theory Comput. 2010, 6, 344–352.