Consistent Evaluation of Magnetic Exchange Couplings in Multicenter Compounds in KS-DFT: The Recomposition Method
Author:
Affiliation:
1. Univ Rennes, CNRS, ISCR (Institut des Sciences Chimiques de Rennes)-UMR 6226, F-35000Rennes, France
2. Aix-Marseille Univ, CNRS, ICR, 13013Marseille, France
Funder
Horizon 2020 Framework Programme
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c01022
Reference95 articles.
1. Molecular magnetism: from chemical design to spin control in molecules, materials and devices
2. Molecular Nanomagnets
3. Single-molecule magnet engineering: building-block approaches
4. Radical ligand-containing single-molecule magnets
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