Structural and vibrational characterization of di-hydrated hydrochloride tacrine combining DFT with SQMFF approach

This research is a continuation of previously reported article on anhydrous freebase, cationic and hydrochloride tacrine. Here, structures and properties of di-hydrated species of cholinesterase inhibitor tacrine have been studied in gas phase and aqueous solution by using B3LYP/6-311G* and wB97XD/6...

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Detalles Bibliográficos
Autores principales: Sundius, Tom, Brandán, Silvia Antonia
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2023
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10597817/
https://www.ncbi.nlm.nih.gov/pubmed/37886741
http://dx.doi.org/10.1016/j.heliyon.2023.e20936

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10597817/
https://www.ncbi.nlm.nih.gov/pubmed/37886741
http://dx.doi.org/10.1016/j.heliyon.2023.e20936

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