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. Author manuscript; available in PMC: 2014 Apr 11.
Published in final edited form as: Curr Org Chem. 2010 Oct 1;14(16):1678–1697. doi: 10.2174/138527210792927717

Fig. (19).

Fig. (19)

Molecular orbitals involved in the key transitions in the ECD spectrum of conformer 5e at the B3LYP-SCRF/6-31G**//B3LYP/6-31G** level with the COSMO model in MeOH.