现有三种比较重要的电子结构方法: (a)半经验方法(Semi-empirical method),如AMl,MINDo/3,以及PMS等方法,它们 都被用于一些计算程序如MOPAc,AMPAC,Hyper—Chem以及Gaussian中,半经验 方法运用从实...
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AM1 semi-empirical method 半径验AM1方法
semi empirical method 半经验方法
pm semi-empirical method 半经验pm3方法
am semi-empirical method 半经验am1方法
am semi empirical method am1半经验方法
semi-empirical method am 半经验am1方法
am 1 semi-empirical method 半径验am方法
pm 3 semi-empirical method 半经验pm方法
am 1 semi empirical method am量子化学方法
Because this model is a semi-empirical method, we must employ experimental data to simulate the five parameters.
该模型是半经验方法,需根据文献数据拟和半经验参数。
参考来源 - 原子和双原子分子在过渡金属表面吸附的微观动力学研究·2,447,543篇论文数据,部分数据来源于NoteExpress
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。
Generally used particle grade technique is semi empirical method, it determines results according to experiments, which needs quite an amount of work.
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。
The adsorptive process of H2O molecule in model zeolite have been studied by PM3 semi empirical quantum chemistry method.
用PM3半经验量子化学方法研究了模型分子筛对水分子吸附的性质。
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