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Zirconocene-Catalyzed Dimerization of α-Olefins: DFT Modeling of the Zr-Al Binuclear Reaction Mechanism
Zirconocene-mediated selective dimerization of α-olefins usually occurs when precatalyst (η(5)-C(5)H(5))(2)ZrCl(2) is activated by minimal excess of methylalumoxane (MAO). In this paper, we present the results of density functional theory (DFT) simulation of the initiation, propagation, and terminat...
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| Veröffentlicht in: | Molecules |
|---|---|
| Hauptverfasser: | , , , , |
| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
MDPI
2019
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| Schlagworte: | |
| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6803839/ https://ncbi.nlm.nih.gov/pubmed/31581621 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules24193565 |
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