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DFT Studies on cis-1,4-Polymerization of Dienes Catalyzed by a Cationic Rare-Earth Metal Complex Bearing an Ancillary PNP Ligand

Dnsity functional theory (DFT) calculations have been carried out for the highly selective cis-1,4-polymerization of butadiene catalyzed by a cationic rare-earth metal complex bearing an ancillary PNP ligand. It has been found that the chain initiation and propagation of butadiene polymerization occ...

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Detalles Bibliográficos
Autores principales:	Wang, Xingbao, Kang, Xiaohui, Zhou, Guangli, Qu, Jingping, Hou, Zhaomin, Luo, Yi
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2017
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6431986/ https://www.ncbi.nlm.nih.gov/pubmed/30970731 http://dx.doi.org/10.3390/polym9020053

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