Embedded Mean-Field Theory for Solution-Phase Transition-Metal Polyolefin Catalysis-Reference-Cited by-同舟云学术

Embedded Mean-Field Theory for Solution-Phase Transition-Metal Polyolefin Catalysis

Published:2020-05-22 Issue:7 Volume:16 Page:4226-4237
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Chen Leanne D.¹^ORCID,Lawniczak James J.¹,Ding Feizhi¹,Bygrave Peter J.²,Riahi Saleh¹,Manby Frederick R.²^ORCID,Mukhopadhyay Sukrit³,Miller Thomas F.¹^ORCID

Affiliation:

1. Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, United States

2. Centre for Computational Chemistry, University of Bristol, Bristol BS8 1TS, United Kingdom

3. The Dow Chemical Company, Midland, Michigan 48674, United States

Funder

Division of Graduate Education

Dow Chemical Company

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c00169

Reference73 articles.

1. A Holy Grail in Chemistry: Computational Catalyst Design: Feasible or Fiction?

2. Ziegler-Natta catalysis: Forever young

3. Designing catalysts for olefin polymerization and copolymerization: beyond electronic and steric tuning

4. Theoretical studies of enzymic reactions: Dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme

5. Calculation of ground and excited state potential surfaces of conjugated molecules. I. Formulation and parametrization

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