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      Machine-Learning Photodynamics Simulations Uncover the Role of Substituent Effects on the Photochemical Formation of Cubanes

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          Generalized Gradient Approximation Made Simple

          John P Perdew, Kieron Burke, Matthias Ernzerhof (1997)
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            Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

            Thom Dunning (1989)
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              The ORCA program system

              Frank Neese (2012)
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                Author and article information

                Contributors
                Journal
                Title: Journal of the American Chemical Society
                Abbreviated Title: J. Am. Chem. Soc.
                Publisher: American Chemical Society (ACS)
                ISSN (Print): 0002-7863
                ISSN (Electronic): 1520-5126
                Publication date Created: December 08 2021
                Publication date (Electronic): November 17 2021
                Publication date (Print): December 08 2021
                Volume: 143
                Issue: 48
                Pages: 20166-20175
                Affiliations
                [1 ]Department of Chemistry and Chemical Biology, Northeastern University, Boston, Massachusetts 02115, United States
                Article
                DOI: 10.1021/jacs.1c07725
                PubMed ID: 34787403
                SO-VID: b3bde3fb-e6d6-4122-8c42-df122b33ca9e
                Copyright © © 2021
                License:

                https://doi.org/10.15223/policy-029

                https://doi.org/10.15223/policy-037

                https://doi.org/10.15223/policy-045

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