Excited States of Six Anthocyanidin Variants with Different Solvents as Dye Sensitizers for Photocatalysis
Anthocyanidins in the gas phase and under the effects of solvents such as water, ethanol, n-hexane, and methanol have been studied using DFT and TDDFT electronic structure calculations for applications as natural dyes in photocatalysis. The results include HOMO and LUMO orbitals, HOMO-LUMO gap, chem...
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| Autores principales: | , , , , |
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| Formato: | Capítulo de libro |
| Lenguaje: | inglés |
| Publicado: |
IntechOpen
2022
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| Materias: | |
| Acceso en línea: | https://www.intechopen.com/chapters/84787 |
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