Data set GMTKN_PA

adiabatic proton affinities

The data set contains 12 items.

References

  1. Parthiban, S.; Martin J. M. L. J. Chem. Phys. 2001, 114, 6014-6029.
  2. Zhao, Y.; Truhlar D. G. J. Phys. Chem. A 2006, 110, 10478-10486.

Reference energies

CCSD(T)/CBS and W1