Theoretical calculations on the tautomerization of five tetrazole derivatives are performed with MNDO MO method.
运用MNDOMO法对五种四唑衍生物的互变异构反应进行了理论计算。
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。
Semiempirical calculations at the MNDO level were performed on nitroaromatic compounds to obtain fully optimized geometries and electronic structures.
对硝基芳烃类衍生物进行半经验分析轨道MNDO计算，求得全优化几何构型和电子结构。
The complete force fields of the cis and trans isomers are determined by the method of determining force field combining model potential function method with MNDO method.
将模型势函法和MNDO方法结合起来，得到了顺、反甲酸分子的完整力场。
The complete force fields of the cis and trans isomers are determined by the method of determining force field combining model potential function method with MNDO method.
将模型势函法和MNDO方法结合起来，得到了顺、反甲酸分子的完整力场。
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