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DFT Calculations on Mössbauer Parameters of Nonheme Iron Nitrosyls
DFT calculations on transition metal nitrosyls often reveal unusual spin density profiles, involving substantial spatial separation of majority and minority spin densities. Against this context, there is a significant lack of studies where DFT calculations have been quantitatively calibrated against...
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| Autores principales: | , , |
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| Formato: | Artigo |
| Lenguaje: | Inglês |
| Publicado: |
2009
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| Materias: | |
| Acceso en línea: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2777692/ https://ncbi.nlm.nih.gov/pubmed/19780615 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ic9008784 |
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