Dynamical barrier and isotope effects in the simplest substitution reaction via Walden inversion mechanism
The H+CH4substitution reaction is the simplest reaction occurring via the Walden inversion mechanism. Here, the authors perform a theoretical study of the reaction and uncover the important effect of the umbrella motion of the non-reacting methyl group on the reaction dynamics.
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| Auteurs principaux: | , , , |
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| Format: | article |
| Langue: | EN |
| Publié: |
Nature Portfolio
2017
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| Sujets: | |
| Accès en ligne: | https://doaj.org/article/51de15a3b64a4a4689d7256a79209e38 |
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