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Ab initio kinetics predictions for the role of pre-reaction complexes in hydrogen abstraction from 2-butanone by OH radicals
The existence of pre- and post-reaction complexes has been proposed to influence hydrogen abstraction reaction kinetics, but the significance still remains controversial. A theoretical study is presented to discuss the effects of complexes on hydrogen abstraction from 2-butanone by OH radicals based...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9088179/ https://www.ncbi.nlm.nih.gov/pubmed/35547632 http://dx.doi.org/10.1039/d0ra05332e |