Iron’s Wake: The Performance of Quantum Mechanical-Derived Versus General-Purpose Force Fields Tested on a Luminescent Iron Complex

Recently synthetized iron complexes have achieved long-lived excited states and stabilities which are comparable, or even superior, to their ruthenium analogues, thus representing an eco-friendly and cheaper alternative to those materials based on rare metals. Most of computational tools which could...

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Detalles Bibliográficos
Autores principales: Diez-Cabanes, Valentin, Prampolini, Giacomo, Francés-Monerris, Antonio, Monari, Antonio, Pastore, Mariachiara
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7411876/
https://www.ncbi.nlm.nih.gov/pubmed/32640764
http://dx.doi.org/10.3390/molecules25133084

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7411876/
https://www.ncbi.nlm.nih.gov/pubmed/32640764
http://dx.doi.org/10.3390/molecules25133084

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