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. Author manuscript; available in PMC: 2010 Jun 3.
Published in final edited form as: Chem Res Toxicol. 2009 Mar 16;22(3):526–535. doi: 10.1021/tx800402y

Figure 4.

Figure 4

Relative energies in solution of Pathway A under neutral (solid black line), basic (red dashed line), and acidic (blue dotted line) conditions for formation of Gh, 7, from Sp, 1 calculated at IEF-PCM/B3LYP/aug-cc-pVTZ//B3LYP/6-31+G(d,p).