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. 2017 Sep 13;45(18):10380–10392. doi: 10.1093/nar/gkx803

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© The Author(s) 2017. Published by Oxford University Press on behalf of Nucleic Acids Research.

This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by-nc/4.0/), which permits non-commercial re-use, distribution, and reproduction in any medium, provided the original work is properly cited. For commercial re-use, please contact journals.permissions@oup.com

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Figure 5. — Radiationless decay of RFP chromophore (DFHBFSI) via twisted intramolecular charge-transfer state. (A) Equilibrium geometry configurations at the minimum energy point of ground state S₀ (S₀-min) and the minimum energy point of excited state S₁ (S₁-min). (B) Potential energy surfaces of S₁ (red) and S₀ (blue) as well as oscillator strength (f_osc) along the phenoxy-twisted photoisomerization pathway. (C) Charge density difference isosurfaces (isovalue = ±0.0075) at the phenoxy-twisted minimum energy conical intersection (MECI) between S₁ and S₀ (S₀/S₁ MECI, φ = 55^o). Positive isosurfaces are red, and negative isosurfaces are blue.