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[Quantum chemistry study on fluorescence spectra of six coumarin dyes].
- Source :
-
Guang pu xue yu guang pu fen xi = Guang pu [Guang Pu Xue Yu Guang Pu Fen Xi] 2009 Dec; Vol. 29 (12), pp. 3323-6. - Publication Year :
- 2009
-
Abstract
- A theoretical study on fluorescence spectra of six coumarin dyes is given in the present paper. Their geometric configurations were optimized by semi-empirical method AM1. For all optimal configurations, there is no imaginary frequency in vibrational analysis. On this basis, the electronic spectra were calculated by CIS method. All the calculated results are basically consistent with experimental values.
Details
- Language :
- Chinese
- ISSN :
- 1000-0593
- Volume :
- 29
- Issue :
- 12
- Database :
- MEDLINE
- Journal :
- Guang pu xue yu guang pu fen xi = Guang pu
- Publication Type :
- Academic Journal
- Accession number :
- 20210161