在B3LYP/6-311G计算所得的平衡几何构型基础上，分别根据静电势和分子轨道计算研究了分子中-NH2和-N（CH3）2的亲核性，并与偏二甲基肼和卤代烃反应的实验结果进行了对比分析。
On the basis of equilibrated geometrical structure obtained by B3LYP/6-311G method, the nucleophilicity of-N(CH3)2 and-NH2 groups are investigated by electrostatic potential and MO calculations.
讨论了斜拉桥几何非线性对初始平衡构型的影响。
The effect of large deflection on the initial equilibrium configuration is studied.
讨论了斜拉桥几何非线性对初始平衡构型的影响。
The effect of large deflection on the initial equilibrium configuration is studied.
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