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- W2080521605 abstract "Extensive configuration interaction calculations based on ab initio wavefunctions including diffuse basis functions are reported for all-trans-1,3,5-hexatriene. Using these results we have assigned the one-photon spectra of Gavin and Rice and the electron-impact spectra of Kuppermann, and we have confirmed the assignment of the two-photon spectra of El-Sayed. The valence 2 1Ag state is found to lie above the strongly allowed valence 1 1Bu state." @default.
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- W2080521605 date "1979-01-01" @default.
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- W2080521605 title "The excited electronic states of all-trans-1,3,5-hexatriene" @default.
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- W2080521605 doi "https://doi.org/10.1016/0009-2614(79)80014-7" @default.
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