Cost-Effective Simulations of Vibrationally-Resolved Absorption Spectra of Fluorophores with Machine-Learning-Based Inhomogeneous Broadening

[Image: see text] The results of electronic and vibrational structure simulations are an invaluable support for interpreting experimental absorption/emission spectra, which stimulates the development of reliable and cost-effective computational protocols. In this work, we contribute to these efforts...

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Detalles Bibliográficos
Autores principales: Petrusevich, Elizaveta F., Bousquet, Manon H. E., Ośmiałowski, Borys, Jacquemin, Denis, Luis, Josep M., Zaleśny, Robert
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10134414/
https://www.ncbi.nlm.nih.gov/pubmed/37096370
http://dx.doi.org/10.1021/acs.jctc.2c01285

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10134414/
https://www.ncbi.nlm.nih.gov/pubmed/37096370
http://dx.doi.org/10.1021/acs.jctc.2c01285

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