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Quantum chemical investigations on sensory photoreceptors in natural and artificial systems

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Sadeghian, Keyarash
Date of publication of this fulltext: 10 Feb 2009 15:24

Abstract (English)

In this project an artificial photoreceptor of cryptochrome type, phenothiazine-pyrene-flavin dyad, and a family of biological photoreceptors, the BLUF domain proteins, were studied using ab initio calculations. Linear response based methods (CC2 and TD-DFT) were used to describe the electronically excited states, which include locally excited (LE) as well as charge transfer states (CT). A ...


Translation of the abstract (German)

In diesem Projekt wurde einen, auf Cryptochrom basierten, künstlichen Photorezeptor, Phenothiazin-pyrene-Flavin Dyade, und eine Familie von biologischen Photorezeptoren, die BLUF protein-domäne, mittels ab initio-Rechnungen untersucht. Lineare Antwort Methoden (CC2, TD-DFT) wurden zur Beschreibung der elektronisch angeregten Zustände, sowohl lokal angeregte (LE) als auch Ladungstransfer Zustände ...


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