Spin-resolved charge density and wavefunction refinements using MOLLYNX: a review

Autor: Ariste Bolivar Voufack, Nicolas Claiser, Iurii Kiblin, M. Deutsch, Mohamed Souhassou, Claude Lecomte

Publikováno v: Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials, International Union of Crystallography, 2021, 77 (5), pp.706-714. ⟨10.1107/S2052520621008222⟩
Acta Crystallographica Section B : Structural Science, Crystal Engineering and Materials [2014-...]
Acta Crystallographica Section B : Structural Science, Crystal Engineering and Materials [2014-..], 2021, 77 (5), pp.706-714. ⟨10.1107/S2052520621008222⟩

MOLLYNX is a new crystallographic tool developed to access a more precise description of the spin-dependent electron density of magnetic crystals, taking advantage of the richness of experimental information from high-resolution X-ray diffraction (XR

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8c093089e53f3d7ef387ed06ab9f7bd3
https://doi.org/10.1107/s2052520621008222