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. 2014 Jan 9;79(3):1280–1288. doi: 10.1021/jo402702m

Figure 4.

Figure 4

Key stationary points for the dehydration of benzene cis-1,2,dihydrodiol. Shown here are the reactant complex (RS), the transition state for proton abstraction (TS1), the carbanion intermediate (IS), the transition state for leaving group expulsion (TS2), and the product complex (PS), obtained in a pure implicit solvent model.