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Excitonic splittings in molecular dimers: why static ab initio calculations cannot match them

After decades of research on molecular excitons, only few molecular dimers are available on which exciton and vibronic coupling theories can be rigorously tested. In centrosymmetric H-bonded dimers consisting of identical (hetero)aromatic chromophores, the monomer electronic transition dipole moment...

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Detalles Bibliográficos
Autores principales: Ottiger, Philipp, Köppel, Horst, Leutwyler, Samuel
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Royal Society of Chemistry 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5802277/
https://www.ncbi.nlm.nih.gov/pubmed/29435210
http://dx.doi.org/10.1039/c5sc02546j