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Elucidating the nature of chemical bonds in a coordination compound through quantum crystallographic techniques

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  • معلومة اضافية
    • Contributors:
      Laboratoire de Physique et Chimie Théoriques (LPCT); Institut de Chimie - CNRS Chimie (INC-CNRS)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS)
    • بيانات النشر:
      HAL CCSD
      International Union of Crystallography
    • الموضوع:
      2023
    • Collection:
      Archive ouverte HAL (Hyper Article en Ligne, CCSD - Centre pour la Communication Scientifique Directe)
    • نبذة مختصرة :
      International audience ; Investigations simultaneously involving multiple techniques of quantum crystallography could be very useful to prove the consistency of obtained results or to highlight different facets of the same scientific phenomenon or problem. Pinto et al. [Acta Cryst. (2023), B79, 282–296] exploit three different quantum crystallographic techniques (Hansen & Coppens multipole model refinement, QTAIM analysis of the electron density, and Hirshfeld atom refinement) to characterize the nature of chemical bonds and of intra/intermolecular interactions in an organometallic compound.
    • Relation:
      hal-04205343; https://hal.univ-lorraine.fr/hal-04205343; https://hal.univ-lorraine.fr/hal-04205343/document; https://hal.univ-lorraine.fr/hal-04205343/file/Articolo68.pdf
    • الرقم المعرف:
      10.1107/S2052520623006364
    • الدخول الالكتروني :
      https://doi.org/10.1107/S2052520623006364
      https://hal.univ-lorraine.fr/hal-04205343
      https://hal.univ-lorraine.fr/hal-04205343/document
      https://hal.univ-lorraine.fr/hal-04205343/file/Articolo68.pdf
    • Rights:
      info:eu-repo/semantics/OpenAccess
    • الرقم المعرف:
      edsbas.A8AC97CD