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

Research output: Research - peer-reviewJournal article

Documents

  • lc5093

    Final published version, 1 MB, PDF-document

DOI

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

    Research areas

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

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