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- W2028198721 abstract "Abstract Multireference Moller-Plesset theory is applied to the study of the valence π → π ∗ excited states of radical cations and dications of butadiene, hexatriene, octatetraene and decapentaene. The present theory satisfactorily describes the low-lying excited states of cations within an error of 0.1 eV. Theory confirms the general tendency observed in carotenoids that the first transition of the dications of polyenes is at a higher energy than the intense transition of the radical cations and at a lower energy than the first allowed transition of the neutral species." @default.
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- W2028198721 date "1997-03-01" @default.
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- W2028198721 title "Theoretical study of the π → π∗ excited states of linear polyene radical cations and dications" @default.
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- W2028198721 doi "https://doi.org/10.1016/s0009-2614(97)00084-5" @default.
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