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Theoretical Investigation of the Electronic Structure of Fe(II) Complexes at Spin-State Transitions
[Image: see text] The electronic structure relevant to low spin (LS)↔high spin (HS) transitions in Fe(II) coordination compounds with a FeN(6) core are studied. The selected [Fe(tz)(6)](2+) (1) (tz = 1H-tetrazole), [Fe(bipy)(3)](2+) (2) (bipy = 2,2′-bipyridine), and [Fe(terpy)(2)](2+) (3) (terpy = 2...
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| Publicado no: | J Chem Theory Comput |
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| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Chemical Society
2012
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| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4358629/ https://ncbi.nlm.nih.gov/pubmed/25821416 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct300932n |
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