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Mapping XANES spectra on structural descriptors of copper oxide clusters using supervised machine learning.
Liu, Yang; Marcella, Nicholas; Timoshenko, Janis; Halder, Avik; Yang, Bing; Kolipaka, Lakshmi; Pellin, Michael J; Seifert, Soenke; Vajda, Stefan; Liu, Ping; Frenkel, Anatoly I.
Afiliação
  • Liu Y; Department of Chemistry, Stony Brook University, Stony Brook, New York 11794, USA.
  • Marcella N; Department of Materials Science and Chemical Engineering, Stony Brook University, Stony Brook, New York 11794, USA.
  • Timoshenko J; Department of Materials Science and Chemical Engineering, Stony Brook University, Stony Brook, New York 11794, USA.
  • Halder A; Materials Science Division, Argonne National Laboratory, 9700 South Cass Avenue, Argonne, Illinois 60439, USA.
  • Yang B; Materials Science Division, Argonne National Laboratory, 9700 South Cass Avenue, Argonne, Illinois 60439, USA.
  • Kolipaka L; Materials Science Division, Argonne National Laboratory, 9700 South Cass Avenue, Argonne, Illinois 60439, USA.
  • Pellin MJ; Materials Science Division, Argonne National Laboratory, 9700 South Cass Avenue, Argonne, Illinois 60439, USA.
  • Seifert S; X-ray Sciences Division, Argonne National Laboratory, 9700 South Cass Avenue, Argonne, Illinois 60439, USA.
  • Vajda S; Materials Science Division, Argonne National Laboratory, 9700 South Cass Avenue, Argonne, Illinois 60439, USA.
  • Liu P; Division of Chemistry, Brookhaven National Laboratory, Upton, New York 11973, USA.
  • Frenkel AI; Department of Materials Science and Chemical Engineering, Stony Brook University, Stony Brook, New York 11794, USA.
J Chem Phys ; 151(16): 164201, 2019 Oct 28.
Article em En | MEDLINE | ID: mdl-31675887
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2019 Tipo de documento: Article
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2019 Tipo de documento: Article