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Tuning the Computational Evaluation of Spectroscopic, ELF, LOL, NCI analysis and Molecular Docking of Novel Anti COVID-19 Molecule 4-Dimethylamino Pyridinium 3, 5-Dichlorosalicylate

In this work novel antiviral compound 4-(Dimethylamino) Pyridinium 3, 5-dichlorosalicylate was synthesized and characterized by UV–vis, FT-IR, FT-Raman, (1)H NMR and (13)C NMR spectra. Quantum chemical computations were carried out by Density functional theory methods at B3LYP level. Electronic stab...

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Detalles Bibliográficos
Autores principales:	Tarika, J.D. Deephlin, Dexlin, X.D. Divya, Madhankumar, S., Jayanthi, D. Deva, Beaula, T. Joselin
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Elsevier B.V. 2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8098044/ https://www.ncbi.nlm.nih.gov/pubmed/33989977 http://dx.doi.org/10.1016/j.saa.2021.119907

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