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

Figure 4.

Figure 4

Adiabatic (black dashed lines) and diabatic (blue and red solid lines) proton potential energy curves for the open (left panels) and stacked (right panels) geometries of the phenoxyl-phenol system obtained using the CASSCF/6-31G** (upper panels) and CDFT-CI/ωB97X/6-31G** (lower panels) methods.