聚吡咯膜电极氢离子响应机理的量子化学计算

Calculation of quantum chemistry on response mechanism of electrode hydrogen ion in polypyrrole film

采用简单分子轨道理论的量子化学方法对聚吡咯进行了研究．计算结果表明，聚吡咯膜电极的氢离子响应机理与推测的结论相吻合．

Polypyrrole was studied by quantum chemistry method of simple molecular orbital theory. The result was quite coincident with the conjecture.