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Schematic potential energy surface of the F(2P3/2) + C2H6 → HF + C2H5 reaction showing the classical (without ZPE) relative energies of the stationary points corresponding to the analytical PES (ref (37)) compared with spin–orbit-corrected MRCI-F12+Q(5,3)/aug-cc-pVDZ (ref (37)) and benchmark relativistic all-electron CCSDT(Q)/complete-basis-set-quality reference data (ref (69)). Adapted with permission from ref (37). Copyright 2020 American Institute of Physics.
