Data set Bauza2013

Halogen, chalcogen and pnicogen bonds

The data set contains 30 items.

References

  1. Bauza, A.; Alkorta, I.; Frontera, A.; Elguero, J. J. Chem. Theory Comput. 2013, 9, 5201–5210.

Reference energies

CCSD(T)/aug-cc-pVTZ

Groups

The data set is divided into following groups (by the type of the interaction):