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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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| Publicado no: | Phys Chem Chem Phys |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Royal Society of Chemistry
2018
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5885803/ https://ncbi.nlm.nih.gov/pubmed/29542743 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c7cp08549d |
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