Figure 1.
Pathways of X– + CH3X (X = F, Cl, Br, I) SN2 reactions showing classical (adiabatic) relative energies in kcal/mol obtained at the CCSD(T)-F12b/aug-cc-pVQZ(-PP)//CCSD(T)-F12b/aug-cc-pVTZ(-PP) level of theory.
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