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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:
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