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Heavy-Atom Tunneling Calculations in Thirteen Organic Reactions: Tunneling Contributions are Substantial, and Bell's Formula Closely Approximates Multidimensional Tunneling at ≥250 K
Angewandte Chemie International Edition ( IF 16.1 ) Pub Date : 2017-09-18 11:33:53 , DOI: 10.1002/anie.201708489
Charles Doubleday 1 , Randy Armas 1 , Dana Walker 1 , Christopher V. Cosgriff 2 , Edyta M. Greer 2
Affiliation  

Several common reaction types were studied to assess the importance of heavy-atom tunneling in organic reactions. The results are consistent with the hypothesis that heavy-atom tunneling is widespread. The success of Bell's formula suggests it is a useful first choice for predicting transmission coefficients in heavy-atom tunnelling.

中文翻译:

十三种有机反应中的重原子隧穿计算:隧穿贡献很大,贝尔公式在≥250 K时近似逼近多维隧穿

研究了几种常见的反应类型,以评估重原子隧穿在有机反应中的重要性。结果与重原子隧穿广泛的假设相符。贝尔公式的成功表明,它是预测重原子隧穿传输系数的有用的首选。
更新日期:2017-09-19
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