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网络释义英英释义

 

...生色团与硝基受体1-5被查处使用的奥斯汀模式1(AM1),修改疏忽双原子重叠(MNDO),MNDO(MNDO-d)的d轨道,参数化方3(PM3),累西腓模式1(RM1)在一个随时间变化的Hartree-Fock(TDHF)方6(PM6)方的参数化方

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短语

PM3 method PM3方法

PM3方法 PM3 method

PM3 approximation PM3近似

semi-empirical PM3 PM3半经验

semiempirical PM3 method 半经验PM3方法

semi-empirical PM3 method 药效结构的模型化

PM3 quantum chemical method PM3量子化学方法

PM3 computer simulation method PM3计算机模拟方法

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PM3

  • abstract: PM3, or Parameterized Model number 3, 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

  • Armchair single walled carbon nanotubes (3, 3) with different lengths were studied by AM1 and PM3 methods.

    半经验的AM1PM 3方法,对不同长度扶手椅型纳米管(3,3)进行了理论研究。

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  • The adsorptive process of H2O molecule in model zeolite have been studied by PM3 semi empirical quantum chemistry method.

    PM3经验量子化学方法研究模型分子筛分子吸附的性质。

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  • The geometry, electronic structures and electronic spectra of trans stilbene derivatives are systematically studied by PM3 and INDO/CI methods.

    采用PM3INDO/ CI理论方法系统研究了对称取代反式二苯乙烯衍生物结构电子光谱

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