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- W2092091256 abstract "Ab initio configuration interaction calculations have been performed to examine the electronic structure of trans- and cis-stilbene. The optimized structure of trans-stilbene in S0 is characterized as a molecule in which phenyl groups are connected with the ethylenic part through normal C–C single bonds but not that in which the π-conjugated system is wholly delocalized over a molecule. The low-lying excited states, S1, S2, and S3 states of the trans-form as well as the cis-one at the equilibrium geometry are mainly derived from π–π* single excitations." @default.
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- W2092091256 date "1999-04-01" @default.
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- W2092091256 title "Ab initio CI study on electronically excited stilbene" @default.
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- W2092091256 doi "https://doi.org/10.1016/s0166-1280(98)00466-7" @default.
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