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Automated Bonding Analysis with Crystal Orbital Hamilton Populations.
George, Janine; Petretto, Guido; Naik, Aakash; Esters, Marco; Jackson, Adam J; Nelson, Ryky; Dronskowski, Richard; Rignanese, Gian-Marco; Hautier, Geoffroy.
Affiliation
  • George J; Federal Institute for Materials Research and Testing, Department Materials Chemistry, Unter den Eichen 87, 12205, Berlin, Germany.
  • Petretto G; Friedrich Schiller University Jena, Institute of Condensed Matter Theory and Solid-State Optics, Max-Wien-Platz 1, 07743, Jena, Germany.
  • Naik A; Université Catholique de Louvain, Institute of Condensed Matter and Nanosciences, Chemin des Étoiles 8, 1348, Louvain-la-Neuve, Belgium.
  • Esters M; Université Catholique de Louvain, Institute of Condensed Matter and Nanosciences, Chemin des Étoiles 8, 1348, Louvain-la-Neuve, Belgium.
  • Jackson AJ; Federal Institute for Materials Research and Testing, Department Materials Chemistry, Unter den Eichen 87, 12205, Berlin, Germany.
  • Nelson R; Friedrich Schiller University Jena, Institute of Condensed Matter Theory and Solid-State Optics, Max-Wien-Platz 1, 07743, Jena, Germany.
  • Dronskowski R; former address: Department of Chemistry, University of Oregon, Eugene, OR 97403, USA.
  • Rignanese GM; Department of Mechanical Engineering and Materials Science and Center for Autonomous Materials Design, Duke University, Durham, NC 27708, USA.
  • Hautier G; Scientific Computing Department, Science & Technology Facilities Council, Rutherford Appleton Laboratory, Didcot, 0X11 0QX, UK.
Chempluschem ; 87(11): e202200246, 2022 Nov.
Article in En | MEDLINE | ID: mdl-35946984
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: Chempluschem Year: 2022 Document type: Article Affiliation country: Alemania Country of publication: Alemania
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: Chempluschem Year: 2022 Document type: Article Affiliation country: Alemania Country of publication: Alemania