Protocols for Understanding the Redox Behavior of Copper-Containing Systems

[Image: see text] Suitability of single-reference density functional theory (DFT) methods for the calculation of redox potentials of copper-containing macrocycle complexes was confirmed by the use of T(1) diagnostics along with a verification of negligible spin contamination or wave function instabi...

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Detalles Bibliográficos
Autores principales: Malcomson, Thomas, Repiščák, Peter, Erhardt, Stefan, Paterson, Martin J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9753522/
https://www.ncbi.nlm.nih.gov/pubmed/36530299
http://dx.doi.org/10.1021/acsomega.2c05484

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9753522/
https://www.ncbi.nlm.nih.gov/pubmed/36530299
http://dx.doi.org/10.1021/acsomega.2c05484

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