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- W2051288413 abstract "The structures of aniline in the ground (S0) and first excited singlet (S1) states were calculated using ab initio quantum chemical methods. The calculated geometrical parameters, dipole moment and the barriers to inversion and rotation of the amino group were compared with the available experimental data. Changes due to excitation from S0 to S1 are discussed. In addition, the change in the ring structure from S0 to S1 is compared with that of benzene and phenol." @default.
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- W2051288413 date "1997-03-01" @default.
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- W2051288413 title "Ab initio study of the ground and first excited singlet states of aniline" @default.
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- W2051288413 doi "https://doi.org/10.1016/s0166-1280(97)90397-3" @default.
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