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Manuscript title: Performance of Quantum Chemistry Methods for a Benchmark Set of Spin–State Energetics Derived from Experimental Data of 17 Transition Metal Complexes (SSE17)
Journal: Chem. Sci.
DOI: 10.1039/D4SC05471G
Metadata:
| Title: | /env_corr/a1 sext_vac |
| Authors: | Mariusz, Radon |
| Keywords: | Spin crossover Transition metal complexes |
| Issue Date: | 30-Jul-2024 |
| Publisher: | Jagiellonian University |
| Description: | sextet, vacuum, single-point COSMO(inf)/PBE0-D3(BJ)/def2-TZVP geometry |
| URI: | https://tungsten.ch.uj.edu.pl:8080/browse/handle/100/527 |
| Appears in Collections: | SSE17 - DOI: 10.19061/iochem-bd-7-8 |
Please use this identifier to cite or link to this item:
https://tungsten.ch.uj.edu.pl:8080/browse/handle/100/527
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