分析的结果,修改忽略双原子微分重叠( MNDO )计算铅簇模型和X射线光电子能谱( XPS )的数据表明,覆盖范围由弱吸附氧物种( OH和水)是一个重要的参数,受到的F -兴奋剂。
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MNDO method MNDO法
Gand Mndo 克兰蒙多
MNDO approach MNDO近似
MNDO parameter MNDO参数
MNDO calculation MNDO计算
quantum chemistry MNDO 量子化学计算MNDO
MNDO molecular orbital calculations MNDO分子轨道计算
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Theoretical calculations on the tautomerization of five tetrazole derivatives are performed with MNDO MO method.
运用MNDO MO法对五种四唑衍生物的互变异构反应进行了理论计算。
The ester exchange reaction on phosphorus of N-phosphorylhistidine with primary alcohol has been studied by MNDO method.
用MNDO方法对磷酰化组氨酸磷上酯交换反应侧链咪唑基所参与的六配位磷机理进行了研究。
Study on the quantum chemical calculations is performed by means of MNDO method on VAX8350 computer for rubescensine A and its acetylate derivative.
本文用MNDO方法在VAX8350计算机上对冬凌草甲素及其乙酰衍生物进行了量子化学计算研究。
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