Transition state in a noisy environment.
Transition state in a noisy environment.
复制标题
噪声环境中的过渡状态。
DOI：
10.1103/physrevlett.95.058301
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发表时间：
2005
影响因子：
8.6
通讯作者：
T. Uzer
中科院分区：
文献类型：
--
作者：
T. Bartsch;R. Hernandez;T. Uzer
过渡态理论高估了溶液中的反应速率，因为试剂和产物之间的传统分界面被相同的反应轨迹多次穿过。我们描述了一个配方，用于构建一个依赖于时间的分割表面的存在噪声的情况下，这种recrossings。因此，过渡态理论的无再交叉极限一般可用于描述波动环境中的反应。
Transition state theory overestimates reaction rates in solution because conventional dividing surfaces between reagents and products are crossed many times by the same reactive trajectory. We describe a recipe for constructing a time-dependent dividing surface free of such recrossings in the presence of noise. The no-recrossing limit of transition state theory thus becomes generally available for the description of reactions in a fluctuating environment.