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Ancillary ligand effects on α-olefin polymerization catalyzed by zirconium metallocene: a computational study
The polymerization of α-olefins catalyzed by zirconium metallocene catalyst was systematically studied through experiments and density functional theory (DFT) calculations. Having achieved an agreement between theory and experiment, it was found that the effect of the catalyst ligand on the C[double...
| Autores principales: | , , , , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9341425/ https://www.ncbi.nlm.nih.gov/pubmed/35975060 http://dx.doi.org/10.1039/d2ra03180a |