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内禀反应坐标
释义
内禀反应坐标
Encyclopedia
理学
计算与理论化学
释
intrinsic reaction coordinate; IRC
内禀反应坐标
不具有任意性,不受具体坐标系变换的影响,能同时反映自由度的变化,并且又能较好地描绘出反应势曲面的本质特征的反应坐标。是1970年由福井谦一首先提出来的。
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