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. Author manuscript; available in PMC: 2011 Oct 13.
Published in final edited form as: J Am Chem Soc. 2010 Oct 13;132(40):14092–14103. doi: 10.1021/ja1036644

Figure 5.

Figure 5

Calculated gas-phase stationary points in the mechanism of C–Cl reductive elimination from A. Energies are solvent-corrected electronic energies at 0K (E0K); ΔH‡ and ΔG‡ (transition state B) for the reductive elimination are at 298K.