Quantification of the Magnetic Anisotropy of a Single-Molecule Magnet from the Experimental Electron Density.

Damgaard-Møller, Emil; Krause, Lennard; Tolborg, Kasper; Macetti, Giovanni; Genoni, Alessandro; Overgaard, Jacob.

Afiliação

Damgaard-Møller E; Department of Chemistry, Aarhus University, Langelandsgade 140, 8000, Aarhus C, Denmark.
Krause L; Department of Chemistry, Aarhus University, Langelandsgade 140, 8000, Aarhus C, Denmark.
Tolborg K; Department of Chemistry, Aarhus University, Langelandsgade 140, 8000, Aarhus C, Denmark.
Macetti G; Université de Lorraine & CNRS, Laboratoire de Physique et Chimie Théoriques (LPCT), UMR CNRS 7019, 1 Boulevard Arago, F-57078, Metz, France.
Genoni A; Université de Lorraine & CNRS, Laboratoire de Physique et Chimie Théoriques (LPCT), UMR CNRS 7019, 1 Boulevard Arago, F-57078, Metz, France.
Overgaard J; Department of Chemistry, Aarhus University, Langelandsgade 140, 8000, Aarhus C, Denmark.

Angew Chem Int Ed Engl ; 59(47): 21203-21209, 2020 Nov 16.

Article em En | MEDLINE | ID: mdl-33463025