Modeling Multi-Step Organic Reactions: Can Density Functional Theory Deliver Misleading Chemistry?-Reference-Cited by-同舟云学术

Modeling Multi-Step Organic Reactions: Can Density Functional Theory Deliver Misleading Chemistry?

Published:2024-02-27 Issue:10 Volume:146 Page:6721-6732
ISSN:0002-7863
Container-title:Journal of the American Chemical Society
language:en
Short-container-title:J. Am. Chem. Soc.

Author:

Li Hanwei¹,Mansoori Kermani Maryam²^ORCID,Ottochian Alistar¹^ORCID,Crescenzi Orlando³^ORCID,Janesko Benjamin G.⁴^ORCID,Truhlar Donald G.²^ORCID,Scalmani Giovanni⁵^ORCID,Frisch Michael J.⁵,Ciofini Ilaria¹^ORCID,Adamo Carlo¹⁶^ORCID

Affiliation:

1. Chimie ParisTech, PSL Research University, CNRS, Institute of Chemistry for Life and Health Sciences, Paris F-75005, France

2. Department of Chemistry, Chemical Theory Center, and Minnesota Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, United States

3. Dipartimento di Scienze Chimiche, Università di Napoli Federico II, Complesso Universitario di Monte Sant’Angelo, Via Cinthia, Napoli 80126, Italy

4. Department of Chemistry & Biochemistry, Texas Christian University, Fort Worth, Texas 76129, United States

5. Gaussian, Inc., Wallingford, Connecticut 06492, United States

6. Institut Universitaire de France, 103 Boulevard Saint Michel, Paris F-75005, France

Funder

U.S. Department of Energy

China Scholarship Council

H2020 European Research Council

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/jacs.3c12713