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。
Also a new semi-empirical model for tire alignment torque is also given using the same method.
作者还用同样方法提出了回正力矩的新半经验模型。
This paper discusses the quantum chemistry ab initio calculation method and some semi-empirical calculation methods frequently used on the electronic structure.
对电子结构计算中常用的量子化学从头算方法及几种量子化学半经验计算方法进行了讨论。
Using a semi empirical quantum mechanical method (PM3), we calculated the potential barriers of reactions of chemical vapor deposition (CVD) diamond films on Si(111) substrate.
本文采用PM3方法，计算了化学汽相沉积金刚石薄膜成核与生长阶段反应势垒。
Using a semi empirical quantum mechanical method (PM3), we calculated the potential barriers of reactions of chemical vapor deposition (CVD) diamond films on Si(111) substrate.
本文采用PM3方法，计算了化学汽相沉积金刚石薄膜成核与生长阶段反应势垒。
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