The BEBOP bond dissociation energy at 0 K parameter, D 0 (Table ), is the ROCBS-QB3 ∆ AT E 0 for the reaction: H n A∼BH m → AH n + BH m of the reference species in Table . In all cases of monovalent elements, the short-range repulsion exponent, ζ AB (Table ), was adjusted to fit the potential energy curve as in Figure . Elements capable of multiple bonds required a compromise as shown for C∼C bonds in Figure . We could fit several species at their equilibrium bond length reasonably well, but the potential energy curves were only qualitatively correct. The BEBOP parameters in Tables 1, 3, 4, 5, and 6, were used for all calibration and application studies. ). Note that our convention results in negative bond energies, but positive bond dissociation energies.