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. 2015 Oct 7;6:8488. doi: 10.1038/ncomms9488

Figure 5. QM/MM optimized geometries.

Figure 5

(a) pre-PT-like, (b) post-PT-like and (c) both conformations. Initial donor-to-acceptor orientations are indicated by black arrows, whereas altered donor-to-acceptor orientations in the post-PT conformation are indicated by magenta arrows.