Dataset supporting the paper "Spin-State Switching of Spin-Crossover Complexes on Cu(111) Evidenced by Spin-Flip Spectroscopyr. Angew. Chem. Int. Ed. 63, e202411865 (2024)"

Dataset corresponding to theoretical calculations in the paper "Spin-State Switching of Spin-Crossover Complexes on Cu(111) Evidenced by Spin-Flip Spectroscopy" Angew. Chem. Int. Ed. 63, e202411865 (2024), https://doi.org/10.1002/anie.202411865

Please cite as:

Sven Johannsen, Roberto Robles, Alexander Weismann, Karl Ridier, Richard Berndt, and Manuel Gruber. Dataset supporting the paper "Spin-State Switching of Spin-Crossover Complexes on Cu(111) Evidenced by Spin-Flip Spectroscopyry. Angew. Chem. Int. Ed. 63, e202411865 (2024)", 2025. DOI: 10.5281/zenodo.14833884

List of files:

Several folders corresponding to the figures of the paper. They contain:xyz and cif files: relaxed structures in cif and xyz formats..agr: grace files (https://plasma-gate.weizmann.ac.il/Grace/).