Resolution of Low-Energy States in Spin-Exchange Transition-Metal Clusters: Case Study of Singlet States in [Fe(III)(4)S(4)] Cubanes

[Image: see text] Polynuclear transition-metal (PNTM) clusters owe their catalytic activity to numerous energetically low-lying spin states and stable oxidation states. The characterization of their electronic structure represents one of the greatest challenges of modern chemistry. We propose a theo...

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Detalles Bibliográficos
Autores principales: Li Manni, Giovanni, Dobrautz, Werner, Bogdanov, Nikolay A., Guther, Kai, Alavi, Ali
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8201447/
https://www.ncbi.nlm.nih.gov/pubmed/34048648
http://dx.doi.org/10.1021/acs.jpca.1c00397

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8201447/
https://www.ncbi.nlm.nih.gov/pubmed/34048648
http://dx.doi.org/10.1021/acs.jpca.1c00397

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