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Computational Investigation on the Formation and Decomposition Reactions of the C(4)H(3)O Compound

[Image: see text] Gas-phase mechanism and kinetics of the formation and decomposition reactions of the C(4)H(3)O compound, a crucial intermediate of the atmospheric and combustion chemistry, were investigated using ab initio molecular orbital theory and the very expensive coupled-cluster CCSD(T)/CBS...

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Detalles Bibliográficos
Autores principales:	Van Pham, Tien, Nguyen, Tue Ngoc, Trang, Hoang T. Tue
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2021
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8296000/ https://www.ncbi.nlm.nih.gov/pubmed/34308031 http://dx.doi.org/10.1021/acsomega.1c01663

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