a using the (6s6p3d1f)/4s4p3d1f contraction basis set for Xe , the (12s12p9d3f2g) / [6s6p4d3f2g] contraction basis set for Cu, Ag and Au ,and the aug- cc-pVTZ basis set for He, Ne and Ar. b ref 58.c ref 40. dref 55.e ref 24.
Table 3. Calculated Dissociation Energies Do Corrected by ZPE+BSSE (in kcal/mol) for at Various Levels of Theory