Fig. 7. Normalized distance dependence of empirical interactions (bars) compared against DLPNO-CCSD(T)/aug-cc-pVTZ computed potential energy curves (kcal mol–1) in the gas phase and with a dielectric constant of 4.2 (diethyl ether) and 78.4 (water). Solvation corrections were computed at the CPCM-MP2/cc-pVTZ level of theory.
