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Time-dependent density functional theory calculations of the solvatochromism of some azo sulfonamide fluorochromes
The absorption and emission spectra of three azo sulfonamide compounds in different solvents were investigated theoretically by using response functions combined with density functional theory (DFT), while the solvent effect on the structure and the electronic transitions was determined using the in...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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Springer Berlin Heidelberg
2015
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4427650/ https://www.ncbi.nlm.nih.gov/pubmed/25877526 http://dx.doi.org/10.1007/s00894-015-2651-z |