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

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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

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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.

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