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Theoretical investigations on mechanisms and kinetics of the CH(3)CFClO(2)· with ClO· reaction in the atmosphere
The singlet and triplet potential energy surfaces of the ClO• radical reaction with the CH(3)CFClO(2)• radical have been investigated at the CCSD(T)/cc-pVTZ level based on the optimized geometries at the B3LYP/6–311++G(d,p) level. On the singlet potential energy surfaces (PES), the possible reaction...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7338532/ https://www.ncbi.nlm.nih.gov/pubmed/32632199 http://dx.doi.org/10.1038/s41598-020-68049-4 |