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      Computational design of magnetic molecules and their environment using quantum chemistry, machine learning and multiscale simulations

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      Journal: Nature Reviews Chemistry
      Publisher: Springer Science and Business Media LLC

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          Toward reliable density functional methods without adjustable parameters: The PBE0 model

          Carlo Adamo, Vincenzo Barone (1999)
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            Inhomogeneous Electron Gas

            P Hohenberg, Kurt W. Kohn (1964)
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              A new mixing of Hartree–Fock and local density-functional theories

              Axel D. Becke (1993)
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                Author and article information

                Contributors
                Alessandro Lunghi: (View ORCID Profile)
                Stefano Sanvito: (View ORCID Profile)
                Journal
                Title: Nature Reviews Chemistry
                Abbreviated Title: Nat Rev Chem
                Publisher: Springer Science and Business Media LLC
                ISSN (Electronic): 2397-3358
                Publication date Created: November 2022
                Publication date (Electronic): October 10 2022
                Volume: 6
                Issue: 11
                Pages: 761-781
                Article
                DOI: 10.1038/s41570-022-00424-3
                PubMed ID: 37118096
                SO-VID: d10cb9b8-6ede-4b42-88b8-aed36cef758c
                Copyright © © 2022
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                https://www.springer.com/tdm

                https://www.springer.com/tdm

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