黄酮类化合物槲皮素光谱特性研究
Guangdong Chemical Industry（2011）
Abstract
采用密度泛函理论B3LYP算法,在6-311++G(d,p)基组对槲皮素进行构型优化,经频率矫正后,对槲皮素紫外及红外光谱进行模拟计算,分析了槲皮素紫外光谱特征的结构因素,并通过实验数据进行验证。
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Key words
Guercetin,density functional theory,ultraviolet spectrum
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