Explicit and Hybrid Solvent Models for Estimates of Parameters Relevant to the Reduction Potential of Ethylene Carbonate

Using ethylene carbonate as a sample solvent, we investigated two molecular parameters used to estimate the reduction potential of the solvent: electron affinity, and the energy of the lowest unoccupied molecular orbital (LUMO). The results showed that the values of these parameters are inconsistent...

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Detalles Bibliográficos
Autores principales: Eilmes, Andrzej, Kubisiak, Piotr, Wróbel, Piotr
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9779264/
https://www.ncbi.nlm.nih.gov/pubmed/36555230
http://dx.doi.org/10.3390/ijms232415590

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9779264/
https://www.ncbi.nlm.nih.gov/pubmed/36555230
http://dx.doi.org/10.3390/ijms232415590

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