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• W2907739916 abstract "2Ag- state of lutein plays a crucial role in photoprotection of higher plants. Due to its multiconfigurational nature, accurate description of this electronic state and respective transition properties is a formidable task. In this paper, applicability of various CASSCF and RASSCF formulations for description of the 2Ag- state is discussed. It is shown that inclusion of the entire π-system of lutein into the active space is required for accurate calculation of transition properties. Exciton coupling in the chlorophyll-lutein dimer involved in non-photochemical quenching in the LHCII complex was calculated to provide a connection between pigment interactions and non-photochemical quenching regulation." @default.
• W2907739916 created "2019-01-11" @default.
• W2907739916 creator A5041423476 @default.
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• W2907739916 date "2019-03-01" @default.
• W2907739916 modified "2023-09-24" @default.
• W2907739916 title "Ab initio model for the chlorophyll-lutein exciton coupling in the LHCII complex" @default.
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• W2907739916 doi "https://doi.org/10.1016/j.bpc.2019.01.001" @default.
• W2907739916 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/30639535" @default.
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