Evaluating excited state atomic polarizabilities of chromophores

Ground and excited state dipoles and polarizabilities of the chromophores N-methyl-6-oxyquinolinium betaine (MQ) and coumarin 153 (C153) in solution have been evaluated using time-dependent density functional theory (TD-DFT). A method for determining the atomic polarizabilities has been developed; t...

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Detalles Bibliográficos
Autores principales: Heid, Esther, Hunt, Patricia A., Schröder, Christian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Royal Society of Chemistry 2018
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5885803/
https://www.ncbi.nlm.nih.gov/pubmed/29542743
http://dx.doi.org/10.1039/c7cp08549d

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5885803/
https://www.ncbi.nlm.nih.gov/pubmed/29542743
http://dx.doi.org/10.1039/c7cp08549d

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