Electronic structure of the photoactive yellow protein chromophore: Ab initio study of the low-lying excited singlet states

Journal of Photochemistry and Photobiology A: Chemistry

Volumn 190, Issue 2-3, 2007, Pages 241-257

  Gromov, Evgeniy V ^a,b   Burghardt, Irene ^c   Hynes, James T ^c,d   Köppel, Horst ^a   Cederbaum, Lorenz S ^a  

^a UNIVERSITY OF HEIDELBERG   (Germany)

^b IRKUTSK STATE UNIVERSITY   (Russian Federation)

^c ECOLE NORMALE SUPÉRIEURE   (France)

^d UNIVERSITY OF COLORADO   (United States)

Author keywords

CC2 method; cis trans isomerisation; Conical intersection; Effects of the protein environment; EOM CCSD method; Excited states; Polarization; PYP; PYP chromophore

Indexed keywords

EID: 34447630077     PISSN: 10106030     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jphotochem.2007.04.033     Document Type: Article

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