Excited states and electronic spectra of monosubstituted benzenes. An AM1 study

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Abstract

Excited singlet and triplet states of fluorobenzene, aniline, nitrobenzene, toluene, phenol, and phenoxide ion have been calculated using the AM1 semi-empirical method. Electronic transitions have been predicted and compared with experimental values when available. © 1988.
Original languageEnglish
Pages (from-to)1427-1434
JournalSpectrochimica Acta Part A: Molecular Spectroscopy
Volume44
Issue number12
DOIs
Publication statusPublished - 1 Jan 1988

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