Enabling Molecular-Level Computational Description of Redox and Proton-Coupled Electron Transfer Reactions of Samarium Diiodide

[Image: see text] Samarium diiodide (SmI(2), Kagan’s reagent) is a one-electron reductant with applications ranging from organic synthesis to nitrogen fixation. Highly inaccurate relative energies of redox and proton-coupled electron transfer (PCET) reactions of Kagan’s reagent are predicted by pure...

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Detalles Bibliográficos
Autores principales: Himmelstrup, Jonas, Jensen, Vidar R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10165656/
https://www.ncbi.nlm.nih.gov/pubmed/37074921
http://dx.doi.org/10.1021/acs.jpca.3c00418

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10165656/
https://www.ncbi.nlm.nih.gov/pubmed/37074921
http://dx.doi.org/10.1021/acs.jpca.3c00418

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