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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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Bibliografiset tiedot
Julkaisussa:Inorg Chem
Päätekijät: Chilkuri, Vijay Gopal, DeBeer, Serena, Neese, Frank
Aineistotyyppi: Artigo
Kieli:Inglês
Julkaistu: American Chemical Society 2019
Linkit: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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