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Enhanced Reactivity in Dioxirane C-H Oxidations via Strain Release: A Computational and Experimental Study
The site- and stereo-selectivities of C-H oxidations of substituted cyclohexanes and trans-decalins by dimethyldioxirane (DMDO) were investigated computationally with quantum mechanical density functional theory (DFT). The multi-configuration CASPT2 method was employed on model systems to establish...
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| Main Authors: | , , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2013
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3631471/ https://ncbi.nlm.nih.gov/pubmed/23461537 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jo400350v |
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