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. 2015 Sep 27;137(42):13545–13555. doi: 10.1021/jacs.5b07327

Figure 7.

Figure 7

Spin densities for the open (top) and stacked (bottom) geometries of the phenoxyl-phenol system obtained from CASSCF/6-31G** ground state calculations for the reactant (left) and product (right) positions of the transferring hydrogen.