Theoretical kinetic study of the reaction of SF₅ radical with F₂, Cl₂ and SF₅
A kinetic study of the gas phase reaction of the SF₅ radical with the species F₂, Cl₂ and SF₅ has been performed. Quantum chemical calculations employing the DFT methods B3LYP, BMK, MPWB1K, BB1K and M06-2X combined with the 6-311+G(3df) basis set provide the required relevant parts of the potential...
Guardado en:
| Autores principales: | Buendía-Atencio, Cristian, Pieffet, Gilles, Croce, Adela Ester, Cobos, Carlos Jorge |
|---|---|
| Formato: | Articulo Preprint |
| Lenguaje: | Inglés |
| Publicado: |
2016
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| Materias: | |
| Acceso en línea: | http://sedici.unlp.edu.ar/handle/10915/128482 |
| Aporte de: |
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