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- W2038708881 abstract "Ab intio SCF and CI calculations on the ground and lower excited states of the radical cation are reported which employ a gaussian basis of double zeta quality augmented by polarisation functions. The best values obtained for the vertical excitation energies are 2B3g(3.6 eV), 2Ag (4.5 eV), 2B2u (6.1 eV) and 2B2g(6.2 eV). Cl calculations support the ab intio SCF prediction of a planar ground state geometry for the ion." @default.
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- W2038708881 date "1977-01-01" @default.
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- W2038708881 title "Theoretical assignments of the electronic states of the π-radical cation of ethylene" @default.
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- W2038708881 doi "https://doi.org/10.1016/0009-2614(77)85207-x" @default.
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