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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...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Elsevier
2023
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| 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 |