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采用量子化学ＭＮＤＯ、ＣＮＤＯ／２－ＣＯ方法，探讨了聚异亚甲亚胺（ＨＣ＝Ｎ—Ｎ＝ＣＨ）ｘ分子链间Ｎ…Ｈ—Ｃ型氢键形成的可能性和氢键构成，分析了这种氢键影响高聚物导电性能的规律。
The quantum chemistry MNDO, CNDO / 2-CO method was used to investigate the possibility of formation of N ... H-C hydrogen bonds and the formation of hydrogen bonds in the polyisocyanurate (HC = N-N = CH) The influence of hydrogen bond on the conductivity of polymer was analyzed.