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. Author manuscript; available in PMC: 2014 Nov 13.
Published in final edited form as: J Am Chem Soc. 2013 Nov 4;135(45):10.1021/ja408073m. doi: 10.1021/ja408073m

Figure 8.

Figure 8

SNOs in TSs: (a) ϕHAT type SNOs for 1+S1, 1+S5, 2+S1, and 4+S1, shown alongside the ϕHAT orbital in the TS (H3C---H---CH3)•. (b) ϕPCET type SNOs for 1+S3, 2+S3, and 1+S4. The hydrogen atoms not in O---H---X moiety are omitted for clarity.