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Reaction of Stabilized Criegee Intermediates from Ozonolysis of Limonene with Water: Ab Initio and DFT Study
The mechanism of the chemical reaction of H(2)O with three stabilized Criegee intermediates (stabCI-OO, stabCI-CH(3)-OO and stabCIx-OO) produced via the limonene ozonolysis reaction has been investigated using ab initio and DFT (Density Functional Theory) methods. It has been shown that the formatio...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Molecular Diversity Preservation International (MDPI)
2013
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3634429/ https://www.ncbi.nlm.nih.gov/pubmed/23481640 http://dx.doi.org/10.3390/ijms14035784 |