The results of Austin Model 1 (AM1) geometry optimization calculations are presented to determine the neutral and charged geometry properties of oligopyrrole.

　
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  • 采用半經(jīng)驗Austin Model 1(AM1)方法；計算了齊分子吡咯聚合物(PPy)的中性態(tài)和帶電態(tài)的幾何結構性質(zhì).
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