Excitation of neutral red dye in aqueous media: comparative theoretical analysis of neutral and cationic forms.
Absorption spectrum
Aqueous solution
Dipole moments
Hydration
Neutral red
TD-DFT/DFT
Vibronic transitions
Journal
Journal of molecular modeling
ISSN: 0948-5023
Titre abrégé: J Mol Model
Pays: Germany
ID NLM: 9806569
Informations de publication
Date de publication:
26 Mar 2022
26 Mar 2022
Historique:
received:
17
01
2022
accepted:
21
03
2022
entrez:
29
3
2022
pubmed:
30
3
2022
medline:
30
3
2022
Statut:
epublish
Résumé
The main goal of this work was the theoretical interpretation of the absorption spectra of neutral red in an aqueous solution (both neutral NR
Identifiants
pubmed: 35347445
doi: 10.1007/s00894-022-05098-8
pii: 10.1007/s00894-022-05098-8
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
103Informations de copyright
© 2022. The Author(s), under exclusive licence to Springer-Verlag GmbH Germany, part of Springer Nature.
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