...生色团与硝基受体1-5被查处使用的奥斯汀模式1(AM1),修改疏忽双原子重叠(MNDO),MNDO(MNDO-d)的d轨道,参数化方法3(PM3),累西腓模式1(RM1)在一个随时间变化的Hartree-Fock(TDHF)方法6(PM6)方法的参数化方法。
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PM3 method PM3方法
PM3方法 PM3 method
PM3 approximation PM3近似
semi-empirical PM3 PM3半经验
semiempirical PM3 method 半经验PM3方法
semi-empirical PM3 method 药效结构的模型化
PM3 quantum chemical method PM3量子化学方法
PM3 computer simulation method PM3计算机模拟方法
以上来源于: WordNet
Armchair single walled carbon nanotubes (3, 3) with different lengths were studied by AM1 and PM3 methods.
用半经验的AM1和PM 3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。
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。
The geometry, electronic structures and electronic spectra of trans stilbene derivatives are systematically studied by PM3 and INDO/CI methods.
采用PM3和INDO/ CI理论方法,系统研究了对称取代反式二苯乙烯衍生物的结构和电子光谱。
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