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. 2015 Jun 1;137(24):7903–7914. doi: 10.1021/jacs.5b04034

Figure 6.

Figure 6

(left) Qualitative molecular orbital diagram for 8 from a BS(2,1) calculation at the B3LYP level. (right) Spin density plot obtained from Mulliken population analysis (red, positive spin density; yellow, negative spin density).