Density functional theory and <scp>CCSD</scp> (T) evaluation of ionization potentials, redox potentials, and bond energies related to zirconocene polymerization catalysts-Reference-Cited by-同舟云学术

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Density functional theory and CCSD (T) evaluation of ionization potentials, redox potentials, and bond energies related to zirconocene polymerization catalysts

Published:2022-06-05 Issue:4 Volume:44 Page:506-515
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J Comput Chem

Author:

Maley Steven M.¹^ORCID,Lief Graham R.²,Buck Richard M.²,Sydora Orson L.³,Yang Qing²,Bischof Steven M.³,Ess Daniel H.¹^ORCID

Affiliation:

1. Department of Chemistry and Biochemistry Brigham Young University Provo Utah USA

2. Research and Technology Chevron Phillips Chemical Company Bartlesville Oklahoma USA

3. Research and Technology Chevron Phillips Chemical Company Kingwood Texas USA

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.26890

Reference54 articles.

1. Handbook of Transition Metal Polymerization Catalysts

2. „Lebende Polymere” bei Ziegler-Katalysatoren extremer Produktivität

3. Highly active metallocene catalysts for olefin polymerization

4. New polymers by metallocene catalysis

5. Design and Optimization of Catalysts Based on Mechanistic Insights Derived from Quantum Chemical Reaction Modeling

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