郑州大学学报(自然科学版)
鄭州大學學報(自然科學版)
정주대학학보(자연과학판)
JOURNAL OF ZHENGZHOU UNIVERSITY Natural Science Edition)
2000年
4期
60-64
,共5页
翟锦库%居学海%翟宇峰%韩维成%于文涛
翟錦庫%居學海%翟宇峰%韓維成%于文濤
적금고%거학해%적우봉%한유성%우문도
显脉香茶菜素%Jeunicin%抗癌活性%量子化学计算
顯脈香茶菜素%Jeunicin%抗癌活性%量子化學計算
현맥향다채소%Jeunicin%항암활성%양자화학계산
nervosin%Jeunicin%anticancerous activities%guantum chemical calculations
用MNDO)方法在VAX8350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．
用MNDO)方法在VAX8350計算機上對顯脈香茶菜素和Jeunicin進行瞭量子化學計算研究．給齣瞭分子軌道及其能級、電荷密度、鍵級，併對其電子結構與抗癌活性的關繫進行瞭討論．
용MNDO)방법재VAX8350계산궤상대현맥향다채소화Jeunicin진행료양자화학계산연구．급출료분자궤도급기능급、전하밀도、건급，병대기전자결구여항암활성적관계진행료토론．
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.
