The geometries of neutral indole and phenol, as well as their cation radicals and anion radicals, have been optimized by using AM1 method.
用AM 1半经验方法，优化了吲哚和苯酚中性分子、正离子自由基和负离子自由基的几何构型。
The electronic structures and the non-linear optical properties of some asymmetrically substituted phthalocyanines have been studied using the AM1 method.
利用AM1方法计算多种酞菁不对称取代物的电子结构与非线性光学特性，并探讨它们之间的关系。
The reaction mechanism of 4-methyl-5-ethenyl-heptanitril e oxide cycloaddition is studied with the molecular orbital AM1 method and transit ion state theory.
用过渡状态理论和量子化学AM1方法，对4 甲基5 烯庚腈氧化物环加成反应机理进行了研究。
The reaction mechanism of 8-dimethyl-7-methoxy-5-ethenyl-nonanenitrile oxide cycloaddition has been studied with the molecular orbital AM1 method and transition state theory.
用过渡态理论和AM 1方法，对8-二甲基- 7-甲氧基- 5 -烯-壬腈氧化物分子内环加成反应机理进行了研究。
The electronic structures of 10 kinds of D-form and L-form amino acids have been investigated by employing AM1 semiempirical quantum chemical method firstly.
首次采用AM1半经验量子化学计算方法研究了10种D型和L型氨基酸的电子结构。
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.
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。
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