[Study on fluorescence spectra of the four heterocyclic compounds in solution].
Guang Pu Xue Yu Guang Pu Fen Xi
; 24(9): 1079-81, 2004 Sep.
Article
em Zh
| MEDLINE
| ID: mdl-15762527
ABSTRACT
The fluorescence spectra of the four compounds have been studied. Geometric configurations of the four compounds have been optimized by semi-empirical method RHF/AM1 of quantum chemistry. There is no imaginary frequency in vibrational analysis. Their fluorescence spectra have also been calculated by RHF/CIS. The results of calculation in solution are better agreement with experimental values than in gas phase.
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MEDLINE
Idioma:
Zh
Revista:
Guang Pu Xue Yu Guang Pu Fen Xi
Ano de publicação:
2004
Tipo de documento:
Article
País de afiliação:
China