TD-DFT Prediction of the Intermolecular Charge-Transfer UV-Vis Spectra of Viologen Salts in Solution
The absorption spectrum of viologen salts in a medium or low polar solvent is an essential feature that influences all its “chromic” applications, whether we are considering thermochromic, electrochromic, photochromic or chemochromic devices. The prediction by quantum chemical methods of such absorp...
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
MDPI AG
2020-11-01
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| coleção: | Applied Sciences |
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| Acesso em linha: | https://www.mdpi.com/2076-3417/10/22/8108 |
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