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第六章 经验力场模型 分子力学 - Nankai University电子密度。因此分子力学可获得分子的平衡结构、振动光谱、热 力学性质等,但不能求得体系与电子结构有关的性质。经验力场计算的结果有时与最高级别量子力学计算的结果同
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