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Competing ultrafast photoinduced electron transfer and intersystem crossing of [Re(CO)[Formula: see text] (Dmp)(His124)(Trp122)][Formula: see text] in Pseudomonas aeruginosa azurin: a nonadiabatic dynamics study

We present a computational study of sub-picosecond nonadiabatic dynamics in a rhenium complex coupled electronically to a tryptophan (Trp) side chain of Pseudomonas aeruginosa azurin, a prototypical protein used in the study of electron transfer in proteins. To gain a comprehensive understanding of...

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Detalles Bibliográficos
Autores principales: Mai, Sebastian, Menger, Maximilian F. S. J., Marazzi, Marco, Stolba, Dario L., Monari, Antonio, González, Leticia
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer Berlin Heidelberg 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7078154/
https://www.ncbi.nlm.nih.gov/pubmed/32214889
http://dx.doi.org/10.1007/s00214-020-2555-6