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Theoretical study of the kinetics of chlorine atom abstraction from chloromethanes by atomic chlorine
Ab initio calculations at the G3 level were used in a theoretical description of the kinetics and mechanism of the chlorine abstraction reactions from mono-, di-, tri- and tetra-chloromethane by chlorine atoms. The calculated profiles of the potential energy surface of the reaction systems show that...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer Berlin Heidelberg
2013
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3778224/ https://www.ncbi.nlm.nih.gov/pubmed/23455925 http://dx.doi.org/10.1007/s00894-013-1779-y |