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Pathways to Triplet or Singlet Oxygen during the Dissociation of Alkali Metal Superoxides: Insights by Multireference Calculations of Molecular Model Systems

Recent experimental investigations demonstrated the generation of singlet oxygen during charging at high potentials in lithium/oxygen batteries. To contribute to the understanding of the underlying chemical reactions a key step in the mechanism of the charging process, namely, the dissociation of th...

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Detalles Bibliográficos
Autores principales: Zaichenko, Aleksandr, Schröder, Daniel, Janek, Jürgen, Mollenhauer, Doreen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7187429/
https://www.ncbi.nlm.nih.gov/pubmed/31647142
http://dx.doi.org/10.1002/chem.201904110

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