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反应性力场
释义
反应性力场
Encyclopedia
工学
【分子力场】
释
reactive force field
反应性力场
可用于模拟涉及化学键生成或断裂即化学反应过程的体系。一种基于键级的分子力场。键级定义的一个最基本假设是键级与原子间的距离存在一定的关系,通过原子间的瞬时距离计算得到键级。
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