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中文摘要：
采用量子化学半经验方法PM3对三种黄酮类化合物的荧光光谱进行了理论研究。对各化合物优化后的构型作了振动分析，均未出现虚频率。在此基础上，采用单激发组态相互作用方法（CIS）计算荧光光谱，所有计算结果与实验值基本吻合。
英文摘要：
A theoretical study on three flavonoid compounds by semi-empirical method is presented in the present paper. Their geometric configurations were optimized by the semi-empirical method RHF/PM3. For all the optimal configurations, there is no imaginary frequency in vibrational analyses. 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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