Probing the accuracy and precision of Hirshfeld atom refinement with HARt interfaced with Olex2

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  • lc5093

    Final published version, 1 MB, PDF-document

DOI

    Malte Fugel, Universitat Bremen, Dylan Jayatilaka, University of Western Australia, Emanuel Hupf, Universitat Bremen,
  • Jacob Overgaard
  • Venkatesha R. Hathwar
  • Piero Macchi, Universitat Bern, Michael J. Turner, University of Western Australia, Judith A.K. Howard, Durham University, Oleg V. Dolomanov, Durham University, Horst Puschmann, Durham University,
  • Bo B. Iversen
  • Hans Beat Bürgi, Universitat Bern, Physik-Institut, Universitat Zürich-Irchel, Simon Grabowsky, Universitat Bremen
Original languageEnglish
JournalIUCrJ
Volume5
Issue number1
Pages (from-to)32-44
Number of pages13
ISSN2052-2525
DOIs
Publication statusPublished - 1 Jan 2018

    Research areas

  • anisotropic displacement parameters, crystallographic software, Hirshfeld atom refinement, hydrogen-atom properties, multipole modelling

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