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Machine Learning for Electronically Excited States of Molecules

[Image: see text] Electronically excited states of molecules are at the heart of photochemistry, photophysics, as well as photobiology and also play a role in material science. Their theoretical description requires highly accurate quantum chemical calculations, which are computationally expensive....

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Detalles Bibliográficos
Autores principales: Westermayr, Julia, Marquetand, Philipp
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8391943/
https://www.ncbi.nlm.nih.gov/pubmed/33211478
http://dx.doi.org/10.1021/acs.chemrev.0c00749