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- W2000520841 abstract "The vibronic activity of the out-of-plane modes of pyridine and s-tetrazine has been investigated through calculations based on the floating orbital scheme, INDO/S Hamiltonian. It is found that the fluorescence and pre-resonance Raman spectra of pyridine are reasonably described in terms of ground state normal coordinates, whereas the absorption spectrum requires the consideration of the Duschinsky effect, i.e. the rotation of normal modes in S1. An estimate of the effect is given and a set of normal coordinates appropriate to S1 is provided. For s-tetrazine large vibronic terms are found to affect the potential of the b3u modes in S0 and S1." @default.
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- W2000520841 date "1983-12-01" @default.
- W2000520841 modified "2023-09-25" @default.
- W2000520841 title "On the duschinsky effect in the S1(nπ*) state of pyridine and s-tetrazine" @default.
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- W2000520841 doi "https://doi.org/10.1016/0166-1280(83)80204-8" @default.
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