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A theoretical study of the gas-phase reactions of propadiene with NO(3): mechanism, kinetics and insights

In this study, the conversion mechanisms and kinetics of propadiene (CH(2)[double bond, length as m-dash]C[double bond, length as m-dash]CH(2)) induced by NO(3) were researched using density functional theory (DFT) and transition state theory (TST) measurements. The NO(3)-addition pathways to genera...

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Detalles Bibliográficos
Autores principales:	Wang, Haomin, Zhao, Meilian, Zuo, Qiwen, Liu, Mingxing, He, Xinyu, Wang, Zhiguo, Sun, Yuxi, Song, Ruojing, Zhang, Yunju
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2023
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10350637/ https://www.ncbi.nlm.nih.gov/pubmed/37465581 http://dx.doi.org/10.1039/d3ra02523c

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