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. 2017 Aug 22;2(8):4808–4819. doi: 10.1021/acsomega.7b00964

Figure 9.

Figure 9

Rotamers around bonds (a) 4 of E_model and P_model, (b) 5 of E_model, (c) 5 of (R)-P_model, and (d) 6 of E_ (R = H) and (R)-P_ (R = CH3) models. For the bond numbers, see Figure 4. The vicinal JT and JG couplings used in eqs 8, 9, 11, and 12 are defined as illustrated.