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Impact of non-covalent interactions on FT-IR spectrum and properties of 4-methylbenzylammonium nitrate. A DFT and molecular docking study

In this research, the impact of non-covalent interactions on the FT-IR spectrum and structural, electronic, topological and vibrational properties of hybrid 4-methylbenzylammonium nitrate (4MBN) have been studied combining B3LYP/CC-PVTZ calculations with molecular docking. 4MBN was synthesized and c...

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Detalles Bibliográficos
Autores principales:	Medimagh, Mouna, Issaoui, Noureddine, Gatfaoui, Sofian, Antonia Brandán, Silvia, Al-Dossary, Omar, Marouani, Houda, J. Wojcik, Marek
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Elsevier 2021
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8556648/ https://www.ncbi.nlm.nih.gov/pubmed/34754970 http://dx.doi.org/10.1016/j.heliyon.2021.e08204

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