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英英释义

MNDO

  • abstract: MNDO, or Modified Neglect of Diatomic Overlap is a semi-empirical method for the quantum calculation of molecular electronic structure in computational chemistry. It is based on the Neglect of Differential Diatomic Overlap integral approximation.

以上来源于: WordNet

双语例句

  • Theoretical calculations on the tautomerization of five tetrazole derivatives are performed with MNDO MO method.

    运用MNDO MO种四唑衍生物互变异构反应进行理论计算

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  • The ester exchange reaction on phosphorus of N-phosphorylhistidine with primary alcohol has been studied by MNDO method.

    MNDO方法酰化组氨酸磷上交换反应侧链咪唑基所参与六配位磷机理进行研究。

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  • 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MNDO方法VAX8350计算机上凌草甲素及其乙酰衍生物进行量子化学计算研究

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