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

A. González-Lafont; J. M. Lluch; J. Bertrán; J. Marquet

doi:10.1016/0584-8539(88)80194-6

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

A. González-Lafont, J. M. Lluch, J. Bertrán, J. Marquet

Research output: Contribution to journal › Article › Research › peer-review

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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 language	English
Pages (from-to)	1427-1434
Journal	Spectrochimica Acta Part A: Molecular Spectroscopy
Volume	44
Issue number	12
DOIs	https://doi.org/10.1016/0584-8539(88)80194-6
Publication status	Published - 1 Jan 1988

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title = "Excited states and electronic spectra of monosubstituted benzenes. An AM1 study",

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. {\textcopyright} 1988.",

author = "A. Gonz{\'a}lez-Lafont and Lluch, {J. M.} and J. Bertr{\'a}n and J. Marquet",

year = "1988",

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AU - González-Lafont, A.

AU - Lluch, J. M.

AU - Bertrán, J.

AU - Marquet, J.

PY - 1988/1/1

Y1 - 1988/1/1

N2 - 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.

AB - 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.

U2 - 10.1016/0584-8539(88)80194-6

DO - 10.1016/0584-8539(88)80194-6

M3 - Article

VL - 44

SP - 1427

EP - 1434

IS - 12

ER -

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

Abstract

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