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

Figure 1.

Figure 1

Open (a) and stacked (b) transition state structures for the self-exchange phenoxyl-phenol reaction calculated at the DFT/M06-2X/6-311+G** level of theory. The proton is transferring between the two red oxygen atoms.