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Quantum chemical investigations on sensory photoreceptors in natural and artificial systems

Sadeghian, Keyarash (2009) Quantum chemical investigations on sensory photoreceptors in natural and artificial systems. PhD, Universität Regensburg.

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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 ...

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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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Export bibliographical data



Item type:Thesis of the University of Regensburg (PhD)
Date:9 February 2009
Referee:Martin (Prof. Dr.) Schütz
Date of exam:19 December 2008
Institutions:Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Research Group Theoretical Chemistry > Prof. Dr. Martin Schütz
Keywords:Photorezeptor , Quantenchemie , Molekulardynamik , Photochemie , Ab-initio-Rechnung , Cryptochrom , Sensorischer Rezeptor , Quantenchemie , QM/MM , BLUF , Cryptochrome , CC2 , TD-DFT , QM/MM , BLUF , cryptochrome , CC2 , TD-DFT
Dewey Decimal Classification:500 Science > 540 Chemistry & allied sciences
Status:Published
Refereed:Yes, this version has been refereed
Created at the University of Regensburg:Yes
Item ID:12112
Owner only: item control page

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