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Dynamical barrier and isotope effects in the simplest substitution reaction via Walden inversion mechanism
Reactions occurring at a carbon atom through the Walden inversion mechanism are one of the most important and useful classes of reactions in chemistry. Here we report an accurate theoretical study of the simplest reaction of that type: the H+CH(4) substitution reaction and its isotope analogues. It...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group
2017
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5336572/ https://www.ncbi.nlm.nih.gov/pubmed/28224993 http://dx.doi.org/10.1038/ncomms14506 |