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Uncovering an oxide ion substitution for the OH(−) + CH(3)F reaction
Theoretical investigations on chemical reactions allow us to understand the dynamics of the possible pathways and identify new unexpected routes. Here, we develop a global analytical potential energy surface (PES) for the OH(−) + CH(3)F reaction in order to perform high-level dynamics simulations. B...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8580036/ https://www.ncbi.nlm.nih.gov/pubmed/34880987 http://dx.doi.org/10.1039/d1sc03834f |