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Investigation on the Thermal Dissociation of Vinyl Nitrite with a Saddle Point Involved
[Image: see text] Hybrid and double-hybrid density functionals are employed to explore the O–NO bond dissociation mechanism of vinyl nitrite (CH(2)=CHONO) into vinoxy (CH(2)=CHO) and nitric monoxide (NO). In contrast to previous investigations, which point out that the O–NO bond dissociation of viny...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2019
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6777096/ https://www.ncbi.nlm.nih.gov/pubmed/31592473 http://dx.doi.org/10.1021/acsomega.9b02242 |