Organic Reactivity Made Easy and Accurate with Automated Multireference Calculations-Reference-Cited by-同舟云学术

Organic Reactivity Made Easy and Accurate with Automated Multireference Calculations

Published:2024-03-27 Issue: Volume: Page:
ISSN:2374-7943
Container-title:ACS Central Science
language:en
Short-container-title:ACS Cent. Sci.

Author:

Wardzala Jacob J.¹^ORCID,King Daniel S.¹^ORCID,Ogunfowora Lawal²,Savoie Brett²^ORCID,Gagliardi Laura³^ORCID

Affiliation:

1. Department of Chemistry,University of Chicago, Chicago, Illinois 60637, United States

2. Davidson School of Chemical Engineering, Purdue University, West Lafayette, Indiana 47906, United States

3. Department of Chemistry, Pritzker School of Molecular Engineering, James Franck Institute, Chicago Center for Theoretical Chemistry, University of Chicago, Chicago, Illinois 60637, United States

Funder

Division of Chemistry

Office of Naval Research

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acscentsci.3c01559

Reference48 articles.

1. Approaching coupled cluster accuracy with a general-purpose neural network potential through transfer learning

2. On the accuracy of density functional theory in transition metal chemistry

3. Fractional spins and static correlation error in density functional theory

4. Describing static correlation in bond dissociation by Kohn–Sham density functional theory

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