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利用ＭＮＤＯ法，计算了马来酸、富马酸酸式离解过程的总能量变化，电荷分布及键合能．从微观角度讨论了分子内氢键的形成对二酸酸性的影响，计算结果与实验结果一致。
The MNDO method was used to calculate the total energy change, charge distribution and bonding energy of the acid dissociation of maleic acid and fumaric acid. The effect of intramolecular hydrogen bond formation on the acidity of diacid was discussed from the microscopic point of view. The calculated results agree well with the experimental results.