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Theoretical study of the kinetics of reactions of the monohalogenated methanes with atomic chlorine
Ab initio calculations at the G2 level were used in a theoretical description of the kinetics and mechanism of the hydrogen abstraction reactions from fluoro-, chloro- and bromomethane by chlorine atoms. The profiles of the potential energy surfaces show that mechanism of the reactions under investi...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer-Verlag
2012
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3604598/ https://www.ncbi.nlm.nih.gov/pubmed/23239396 http://dx.doi.org/10.1007/s00894-012-1709-4 |