Resolving Femtosecond Solvent Reorganization Dynamics in an Iron Complex by Nonadiabatic Dynamics Simulations

[Image: see text] The ultrafast dynamical response of solute–solvent interactions plays a key role in transition metal complexes, where charge transfer states are ubiquitous. Nonetheless, there exist very few excited-state simulations of transition metal complexes in solution. Here, we carry out a n...

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Detalles Bibliográficos
Autores principales: Zederkof, Diana Bregenholt, Møller, Klaus B., Nielsen, Martin M., Haldrup, Kristoffer, González, Leticia, Mai, Sebastian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9305979/
https://www.ncbi.nlm.nih.gov/pubmed/35776920
http://dx.doi.org/10.1021/jacs.2c04505

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9305979/
https://www.ncbi.nlm.nih.gov/pubmed/35776920
http://dx.doi.org/10.1021/jacs.2c04505

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