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Ligand Field Theory and Angular Overlap Model Based Analysis of the Electronic Structure of Homovalent Iron–Sulfur Dimers
[Image: see text] The electronic structure of multinuclear transition metal complexes is a highly challenging problem for quantum chemical methods. The problems to be solved for a successful analysis include the following: (1) many unpaired electrons leading to “highly entangled” wave functions that...
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| Publicado no: | Inorg Chem |
|---|---|
| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American
Chemical Society
2019
|
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6978809/ https://ncbi.nlm.nih.gov/pubmed/31247844 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.inorgchem.9b00974 |
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