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Spin Coupling in Roussin’s Red and Black Salts
Although DFT calculations have provided a first-order electronic-structural description for Roussin’s red and black salts, a detailed study of spin coupling in these species has yet to be reported. Such an analysis is presented here for the first time, based on broken-symmetry density functional the...
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| Auteurs principaux: | , , |
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| Format: | Artigo |
| Langue: | Inglês |
| Publié: |
2010
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| Sujets: | |
| Accès en ligne: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3030481/ https://ncbi.nlm.nih.gov/pubmed/20623807 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/chem.200903344 |
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