摘要
用 MNDO方法在 VAX835 0计算机上对显脉香茶菜素和 Jeunicin进行了量子化学计算研究 .给出了分子轨道及其能级、电荷密度、键级 ,并对其电子结构与抗癌活性的关系进行了讨论 .
Study on the guantum chemical calculations is performed by means of MNDO method on VAX8350 computer for Nervosin and Jeunicin. The molecular orbitals and their eigenvalues, Charge densities, bond orders are obtained. Moreover, the relationship between the electronic structure and anticancerous activities is also discussed.
出处
《郑州大学学报（自然科学版）》
CAS
2000年第4期60-64,共5页
Journal of Zhengzhou University (Natural Science)
基金
山东大学晶体材料国家重点实验室资助课题
