semi-empirical AM1 method 半经验AM1方法
AM1 semi-empirical method 半径验AM1方法
AM1 semiempirical method AM1半经验方法
AM1 and DFT method AM1与DFT
AM1 Semiemperical Quantumchemical Method AM1半经验量子力学计算方法
semi-empirical molecular orbital method AM1 AM1半经验分子轨道方法
AM1 semiempirical quantum-mechanicall calculation method AM1半经验量子化学计算方法
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。
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