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. Author manuscript; available in PMC: 2015 Nov 25.
Published in final edited form as: Nat Commun. 2015 Oct 7;6:8488. doi: 10.1038/ncomms9488

Figure 3. The energy profiles along the proton transfer coordinate for the O4–OW539 bond.

Figure 3

(a) pre-Tand (b) post-PT in S1 (blue solid curve), S0 (black dotted curve), and S−1 (blue thin solid curve). For comparison, the energy minimum in the O4 moiety was set to zero for all S states.