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用PM3法计算了吡咯异构体的电子结构 ,用分子中原子的净电荷、键级以及能量讨论了两种异构体杀虫活性的差异。
The electronic structure of the pyrrole isomers was calculated by the PM3 method. The differences of insecticidal activity between the two isomers were discussed using the net charge, the bond order and the energy of the atoms in the molecule.