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.
|Journal||Spectrochimica Acta Part A: Molecular Spectroscopy|
|Publication status||Published - 1 Jan 1988|