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. 2015 Oct 9;1(9):e1500656. doi: 10.1126/sciadv.1500656

Fig. 6. Density functional theory (DFT) calculations for intramolecular cyclization of the enamine cationic radical.

Fig. 6

(A) Free energy profile for copper(II)-involved cyclization. (B) ESP map of complex IX. (C) Spin density map of complex IX. The numbers in parentheses are the corresponding Mulliken spin density located on each atom.