Notes on the S66 Set

(All solids - Periodic Table - Home - PM7 Accuracy - Manual - S22 notes)

All reference data was obtained from: Rezac J., Riley K. E., Hobza P., "S66: A Well-balanced Database of Benchmark Interaction Energies Relevant to Biomolecular Structures", J. Chem. Theory and Comp 7, 2427:2438 (2011). Data  None of these data were used in the parameter optimization.