Quantum chemistry study on fluorescence spectra of six coumarin dyes
2009
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.
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