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Absorption and Emission Spectra of a Flexible Dye in Solution: a Computational Time-Dependent Approach
The spectroscopic properties of the organic chromophore 4-naphthoyloxy-1-methoxy-2,2,6,6-tetramethylpiperidine (NfO-TEMPO-Me) in toluene solution are explored through an integrated computational strategy combining a classical dynamic sampling with a quantum mechanical description within the framewor...
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| Publicado no: | J Chem Theory Comput |
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| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2013
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4618302/ https://ncbi.nlm.nih.gov/pubmed/26504457 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct4005799 |
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