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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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| Publicat a: | J Chem Theory Comput |
|---|---|
| Autors principals: | , , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
2013
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| Matèries: | |
| Accés en línia: | 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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