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- W2091921879 abstract "The electronic spectra of monosubstituted benzenes are examined from the viewpoint of semi-empirical MO theory. To allow for electronic interaction, the simple LCAO method is refined in the light of purely theoretical procedure, configuration interaction being included. The refined method is particularly convenient for dealing with the spectra of substituted organic compounds. The origins of the absorption bands for phenol and aniline are clarified on the basis of the calculated excitation energies, oscillator strengths and changes of charge distribution accompanying electronic transitions. The nature of the second excited state of aniline is discussed in detail, in connection with the problem of electron transfer." @default.
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- W2091921879 title "Electronic Spectra of Substituted Aromatic Hydrocarbons. I. Phenol and Aniline" @default.
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- W2091921879 doi "https://doi.org/10.1246/bcsj.34.76" @default.
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