The effect of oxidation on the electronic structure of the green fluorescent protein chromophore

Electronic structure calculations of the singly and doubly ionized states of deprotonated 4 ′ -hydroxybenzylidene-2,3-dimethylimidazolinone (HBDI anion) are presented. One-electron oxidation produces a doublet radical that has blueshifted absorption, whereas the detachment of two electrons yields a...

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Veröffentlicht in:	The Journal of chemical physics 2010-03, Vol.132 (11), p.115104-115104-9
Hauptverfasser:	Epifanovsky, E., Polyakov, I., Grigorenko, B., Nemukhin, A., Krylov, A. I.
Format:	Artikel
Sprache:	eng
Schlagworte:	Electrons Green Fluorescent Proteins - chemistry Imidazolines - chemistry Molecular Dynamics Simulation Molecular Structure Oxidation-Reduction Quantum Theory
Online-Zugang:	Volltext
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