• 常用颗粒级配主要经验,依靠实验确定工作量大

    Generally used particle grade technique is semi empirical method, it determines results according to experiments, which needs quite an amount of work.

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  • 从流动细节上看,经验给出流动与代表实际流动时间精确解平均结果一定差距

    Result shows that semi-empirical approach can give a good performance representation of averaged time-accurate solution.

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  • 容易应用到各种半经验从头计算量子化学的中去。

    It is very easy to apply this optimization approach to various semi-empirical and ab initio molecular orbital calculation.

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  • 半经验量子化学PM3研究了反应物产物电子结构,得到了产物的最优构型和电荷键序分布以及反应变。

    The electronic structure of products and reactants were studied by molecular orbital PM3 method. The reaction enthalpies and optimized configuration for products were obtained.

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  • 采用公式经验等效弹性当量系数计算量值

    The magnitude of frost heave force is figured out by means of the half formula and half experience, namely the Equivalent Elasticity Coefficient Method.

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  • 半经验AM1PM3,对不同长度扶手椅型纳米管(3,3)进行了理论研究。

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

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  • 经验am 1研究C _(60)与单态二氯卡宾加成反应反应机理

    The cycloaddition reaction of dichlorocarbene with C60 has been studied by using the semi-empirical method AM1. A reasonable mechanism of the reaction has been suggested.

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  • 经验am 1研究C _(60)与单态二氯卡宾加成反应反应机理

    The cycloaddition reaction of dichlorocarbene with C60 has been studied by using the semi-empirical method AM1. A reasonable mechanism of the reaction has been suggested.

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