Computational Evaluation and Design of Polyethylene Zirconocene Catalysts with Noncovalent Dispersion Interactions-Reference-Cited by-同舟云学术

Computational Evaluation and Design of Polyethylene Zirconocene Catalysts with Noncovalent Dispersion Interactions

Published:2022-03-01 Issue:5 Volume:41 Page:581-593
ISSN:0276-7333
Container-title:Organometallics
language:en
Short-container-title:Organometallics

Author:

Maley Steven M.¹^ORCID,Steagall Robert¹,Lief Graham R.²,Buck Richard M.²,Yang Qing²,Sydora Orson L.³^ORCID,Bischof Steven M.³^ORCID,Ess Daniel H.¹^ORCID

Affiliation:

1. Department of Chemistry and Biochemistry, Brigham Young University, Provo, Utah 84602, United States

2. Research and Technology, Chevron Phillips Chemical Company LP, Highways 60 & 123, Bartlesville, Oklahoma 74003, United States

3. Research and Technology, Chevron Phillips Chemical Company LP, 1862, Kingwood Drive, Kingwood, Texas 77339, United States

Funder

Chevron Phillips Chemical

Publisher

American Chemical Society (ACS)

Subject

Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.organomet.1c00670

Reference118 articles.

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

2. Theoretical Attempts: “In Silico Olefin Metathesis”-How Can Computers Help in the Understanding of Metathesis Mechanisms and in Catalysts Development?

3. Introduction: Computational Design of Catalysts from Molecules to Materials

4. Computational Ligand Descriptors for Catalyst Design

5. Comparing quantitative prediction methods for the discovery of small-molecule chiral catalysts

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