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      Computational Methods in Heterogeneous Catalysis

      Author(s): 1 , 1 , 1
      Publication date (Electronic):
      Journal: Chemical Reviews
      Publisher: American Chemical Society (ACS)

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          Generalized Gradient Approximation Made Simple

          John P Perdew, Kieron Burke, Matthias Ernzerhof (1997)
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            Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set

            G Kresse, J. Furthmüller (1996)
            Article 0 comments Cited 18873 times – based on 0 reviews     Review now
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              Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

              G Kresse, J. Furthmüller (1996)
              Article 0 comments Cited 6699 times – based on 0 reviews     Review now
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                Author and article information

                Contributors
                Benjamin W. J. Chen: (View ORCID Profile)
                Lang Xu: (View ORCID Profile)
                Manos Mavrikakis: (View ORCID Profile)
                Journal
                Title: Chemical Reviews
                Abbreviated Title: Chem. Rev.
                Publisher: American Chemical Society (ACS)
                ISSN (Print): 0009-2665
                ISSN (Electronic): 1520-6890
                Publication date Created: January 27 2021
                Publication date (Electronic): December 22 2020
                Publication date (Print): January 27 2021
                Volume: 121
                Issue: 2
                Pages: 1007-1048
                Affiliations
                [1 ]Department of Chemical and Biological Engineering, University of Wisconsin−Madison, Madison, Wisconsin 53706, United States
                Article
                DOI: 10.1021/acs.chemrev.0c01060
                PubMed ID: 33350813
                SO-VID: ea6190e4-3e8a-4835-8261-e9dab9c14b9b
                Copyright © © 2021
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