A Combined DFT, Energy Decomposition, and Data Analysis Approach to Investigate the Relationship Between Noncovalent Interactions and Selectivity in a Flexible DABCOnium/Chiral Anion Catalyst System-Reference-Cited by-同舟云学术

A Combined DFT, Energy Decomposition, and Data Analysis Approach to Investigate the Relationship Between Noncovalent Interactions and Selectivity in a Flexible DABCOnium/Chiral Anion Catalyst System

Published:2022-09-27 Issue:19 Volume:12 Page:12369-12385
ISSN:2155-5435
Container-title:ACS Catalysis
language:en
Short-container-title:ACS Catal.

Author:

Miller Edward¹^ORCID,Mai Binh Khanh²^ORCID,Read Jacquelyne A.³^ORCID,Bell William C.²,Derrick Jeffrey S.¹,Liu Peng²^ORCID,Toste F. Dean¹^ORCID

Affiliation:

1. Department of Chemistry, University of California, Berkeley, California94720, United States

2. Department of Chemistry, University of Pittsburgh, Pittsburgh, Pennsylvania15260, United States

3. Department of Chemistry, University of Utah, Salt Lake City, Utah84112, United States

Funder

University of Pittsburgh

National Institute of General Medical Sciences

Publisher

American Chemical Society (ACS)

Subject

Catalysis,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acscatal.2c03077

Reference100 articles.

1. Enzyme catalysis: not different, just better

2. How Enzymes Work: Analysis by Modern Rate Theory and Computer Simulations

3. Electrostatic Basis for Enzyme Catalysis

4. Attractive noncovalent interactions in asymmetric catalysis: Links between enzymes and small molecule catalysts

5. C2 symmetry and asymmetric induction

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