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Caveat when using ADC(2) for studying the photochemistry of carbonyl-containing molecules

Several electronic-structure methods are available to study the photochemistry and photophysics of organic molecules. Among them, ADC(2) stands as a sweet spot between computational efficiency and accuracy. As a result, ADC(2) has recently seen its number of applications booming, in particular to un...

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Detalles Bibliográficos
Autores principales: Marsili, Emanuele, Prlj, Antonio, Curchod, Basile F. E.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8207513/
https://www.ncbi.nlm.nih.gov/pubmed/34085679
http://dx.doi.org/10.1039/d1cp02185k