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Noncovalently bound excited-state dimers: a perspective on current time-dependent density functional theory approaches applied to aromatic excimer models

Excimers are supramolecular systems whose binding strength is influenced by many factors that are ongoing challenges for computational methods, such as charge transfer, exciton coupling, and London dispersion interactions. Treating the various intricacies of excimer binding at an adequate level is e...

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Detalles Bibliográficos
Autores principales: Hancock, Amy C., Goerigk, Lars
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9062889/
https://www.ncbi.nlm.nih.gov/pubmed/35520129
http://dx.doi.org/10.1039/d2ra01703b