An energy decomposition and extrapolation scheme for evaluating electron transfer rate constants: a case study on electron self-exchange reactions of transition metal complexes

A simple approach to the analysis of electron transfer (ET) reactions based on energy decomposition and extrapolation schemes is proposed. The present energy decomposition and extrapolation-based electron localization (EDEEL) method represents the diabatic energies for the initial and final states u...

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Detalles Bibliográficos
Autores principales: Mutsuji, Akihiro, Saita, Kenichiro, Maeda, Satoshi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2023
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10619204/
https://www.ncbi.nlm.nih.gov/pubmed/37920761
http://dx.doi.org/10.1039/d3ra05784d

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10619204/
https://www.ncbi.nlm.nih.gov/pubmed/37920761
http://dx.doi.org/10.1039/d3ra05784d

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