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Density Functional Theory Analysis of the Copolymerization of Cyclopropenone with Ethylene Using a Palladium Catalyst

Density functional theory has been used to elucidate the mechanism of Pd copolymerization of cyclopropenone with ethylene. The results reveal that introducing ethylene and cyclopropenone to Pd catalyst is thermodynamically feasible and generates the α,β-unsaturated ketone unit (UnitA). Cis-mode inse...

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Detalles Bibliográficos
Autores principales:	Zhang, Chenggen, Yu, Shuyuan, Wang, Fei, Wang, Fuping, Cao, Jian, Zheng, Huimin, Chen, Xiaoyu, Ren, Aijin
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9739415/ https://www.ncbi.nlm.nih.gov/pubmed/36501667 http://dx.doi.org/10.3390/polym14235273

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