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Formation pathways of polycyclic aromatic hydrocarbons (PAHs) in butane or butadiene flames
The reaction pathways from phenyl radicals to phenanthrene (A(3)) and pyrene (A(4)) via C(2)H(3) and C(4)H(4) additions were investigated using the G3(MP2, CC) method. Rate constants of elementary reactions were calculated. The influence of additions, H-abstraction ways and reactive sites on the rea...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8694769/ https://www.ncbi.nlm.nih.gov/pubmed/35423086 http://dx.doi.org/10.1039/d0ra08744k |