Fast Method for Excited-State Dynamics in Complex Systems and Its Application to the Photoactivation of a Blue Light Using Flavin Photoreceptor

[Image: see text] The excited-state dynamics of molecules embedded in complex (bio)matrices is still a challenging goal for quantum chemical models. Hybrid QM/MM models have proven to be an effective strategy, but an optimal combination of accuracy and computational cost still has to be found. Here,...

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Detalles Bibliográficos
Autores principales: Mazzeo, Patrizia, Hashem, Shaima, Lipparini, Filippo, Cupellini, Lorenzo, Mennucci, Benedetta
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9923743/
https://www.ncbi.nlm.nih.gov/pubmed/36716231
http://dx.doi.org/10.1021/acs.jpclett.2c03797

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