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- W2562930417 abstract "测定了标题化合物的晶体结构,它是由2个相似结构的化合物分子组成.晶体属单斜晶系,空间群为P2 1 ,晶胞参数:a=0.8431(3)nm,b=0.7297(1)nm,c=2.1880(7)nm,β=100.90(3)°,V=1.322(1)nm 3 ,Z=2.应用分子力学程序MMX及逐步旋转单键法探讨了它的构型和其它可能的优势构象.还应用MNDO方法计算了电荷分布及CNDO/2方法计算了静电势.结果表明,在该化合物中存在3个明显的负电区域,此结构与活性密切相关." @default.
- W2562930417 created "2017-01-06" @default.
- W2562930417 creator A5066109311 @default.
- W2562930417 date "1997-10-24" @default.
- W2562930417 modified "2023-09-28" @default.
- W2562930417 title "应用分子图形学、分子力学、量子化学及静电势研究农药分子结构与性能关系(XI)──抗植物病毒病药物──胡椒醛肟醚基-4-喹唑啉的结构特征" @default.
- W2562930417 hasPublicationYear "1997" @default.
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