【摘要】 本文采用量子化学ＳＣＦ—ＭＮＤＯ和ＣＮＤＯ／２—方法对三种聚甲基取代吡咯的结构进行优化，分析了它们的电子能带结构，探讨了甲基取代对聚吡咯结构和性能的影响。更多还原

【Abstract】 The structures of three kinds of methyl polypyrrole have been optinlized by using quantumchemistry SCF MN0O and CNDO/2 methods.Their electronic energetic band structures are analy-sized. Iufluence of methyl substitution on the structures and properties of polypyrrole is studied.更多还原