【摘要】 采用量子化学晶体轨道ＣＮＤＯ／ ２ 方法，在考虑了羟基代聚并苯氢键作用的基础上对其双链模型的电子结构进行系列的计算和讨论．结果表明羟基代聚并苯链位于不同位置时，氢键的作用有明显的不同，能带结构差别很大更多还原

【Abstract】 The electric structures of double-chain of hydroxy polyacene were studied by quantum chemistry crystal orbital CNDO/ 2 method, and considered the hydrogen-binding interaction of hydroxy-polyacene. The result indicated that:The hydrogen-binding interaction is obviously different with the chains relative sits different, the energy band changed a lot.Thus,We concluded that the result is useful for us to analyses the electric conductance capacity of hydroxy polyacence.更多还原