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- W2000718654 abstract "The equilibrium structures of tricyclo[5.2.1.04,10]decane and its 1-aza and 1,4,7-triaza derivatives were calculated at the HF/ 6-31G∗ ab initio level of theory and found to be cup-shaped and of C3 symmetry. The He(I) photoelectron spectra of the azacompounds were measured and interpreted by means of ab initio outer valence Green function calculations, which give an overall consistent agreement with the main features in the spectra, in particular of the n(N) bands." @default.
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- W2000718654 date "1997-03-01" @default.
- W2000718654 modified "2023-09-30" @default.
- W2000718654 title "Ab initio study of the molecular structure and photoelectron spectra of azatriquinane, triazatricyclodecane and tricyclodecane" @default.
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- W2000718654 doi "https://doi.org/10.1016/s0166-1280(97)90367-5" @default.
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