常用的颗粒级配方法主要是半经验法,依靠实验来确定,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.
从流动细节上看,半经验法给出时均流动与代表实际流动的时间精确解平均结果有一定差距。
Result shows that semi-empirical approach can give a good performance representation of averaged time-accurate solution.
该法容易应用到各种半经验的和从头计算量子化学的方法中去。
It is very easy to apply this optimization approach to various semi-empirical and ab initio molecular orbital calculation.
用半经验的量子化学PM3方法研究了反应物和产物的电子结构,得到了产物的最优构型和电荷键序分布以及反应焓变。
The electronic structure of products and reactants were studied by molecular orbital PM3 method. The reaction enthalpies and optimized configuration for products were obtained.
采用半公式半经验的方法,即“等效弹性当量系数法”计算出冻胀力的量值。
The magnitude of frost heave force is figured out by means of the half formula and half experience, namely the Equivalent Elasticity Coefficient Method.
用半经验的AM1和PM3方法,对不同长度的扶手椅型单壁碳纳米管(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.
用半经验am 1方法研究了C _(60)与单态二氯卡宾环加成反应的反应机理。
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.
用半经验am 1方法研究了C _(60)与单态二氯卡宾环加成反应的反应机理。
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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