Dataset for the theoretical study of the magnetic properties of polinuclear Cu(II) complexes
This dataset supports the theoretical evaluation of the intramolecular and intermolecular magnetic couplings of two new copper polinuclear complexes. It contains the geometries and input data employed for their determination.
| Author: | |
|---|---|
| Format: | conjunto de datos |
| Publication Date: | 2025 |
| Country: | España |
| Institution: | Universidad de Sevilla (US) |
| Repository: | idUS. Depósito de Investigación de la Universidad de Sevilla |
| OAI Identifier: | oai:idus.us.es:11441/179151 |
| Online Access: | https://hdl.handle.net/11441/179151 https://doi.org/10.12795/11441/179151 |
| Access Level: | Open access |
| Keyword: | Cu(II) complexes Magnetic properties Magnetic exchange ORCA Broken-symmetry calculations |
| Summary: | This dataset supports the theoretical evaluation of the intramolecular and intermolecular magnetic couplings of two new copper polinuclear complexes. It contains the geometries and input data employed for their determination. |
|---|