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. 2016 Jun 9;7:11871. doi: 10.1038/ncomms11871

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Energy profiles of possible mechanism for the stereo- and region-selective formation of 4, 5a, 8 and 9 from 2 with relative Gibbs free energies in kcal mol⁻¹ obtained at the B3LYP-D3(BJ)(SCRF)/6-311+G(d,p)//B3LYP/6-311+G(d,p) level, and dispersion force, all the compound numbers are in conjunction with Fig. 3). (a) Pathway for the formation of 4. (b) Pathway for the formation of 5a. (c) Pathways for the formation of 8 and the other diastereomer 8*. (d) Pathways for the formation of 9 and the other diastereomer 9*.