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本文报导了香茶菜中几种抗癌活性组分抗癌活性区的 X-射线衍射结构测定和量子化学计算结果,给出了原子间的主要键长、键角、二面角,前线轨道及其能级,电荷密度。并对其抗癌活性与结构的关系进行了讨论。
In this paper, the X-ray diffraction structure and quantum chemical calculation results of several anticancer active sites in Xiangcha were reported. The main bond length, bond angle, dihedral angle, frontier orbital And its energy level, charge density. The relationship between anticancer activity and structure was also discussed.