Tautomerism in Azo and Azomethyne Dyes: When and If Theory Meets Experiment

The performance of 26 hybrid density functionals was tested against a tautomeric dataset (TautData), containing experimental information for the keto-enol tautomeric equilibrium in 16 tautomeric azodyes and Schiff bases in cyclohexane, carbon tetrachloride and acetonitrile. The results have shown th...

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Detalles Bibliográficos
Autor principal: Antonov, Liudmil
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6631587/
https://www.ncbi.nlm.nih.gov/pubmed/31212924
http://dx.doi.org/10.3390/molecules24122252

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6631587/
https://www.ncbi.nlm.nih.gov/pubmed/31212924
http://dx.doi.org/10.3390/molecules24122252

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