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Structure and spin state of nonheme Fe(IV)O complexes depending on temperature: predictive insights from DFT calculations and experiments

The spin states (S = 1 and S = 2) of nonheme Fe(IV)O intermediates are believed to play an important role in determining their chemical properties in enzymatic and biomimetic reactions. However, it is almost impossible to investigate the spin state effect of nonheme Fe(IV)O species experimentally, s...

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Detalles Bibliográficos
Autores principales:	Lee, Na Young, Mandal, Debasish, Bae, Seong Hee, Seo, Mi Sook, Lee, Yong-Min, Shaik, Sason, Cho, Kyung-Bin, Nam, Wonwoo
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Royal Society of Chemistry 2017
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5609531/ https://www.ncbi.nlm.nih.gov/pubmed/28970926 http://dx.doi.org/10.1039/c7sc01738c

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