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Synthesis, spectral analysis, molecular docking and DFT studies of 3-(2, 6-dichlorophenyl)-acrylamide and its dimer through QTAIM approach

In this paper, an experimental study of (E)-3-(2,6-dichlorophenyl)-acrylamide and its associated dimer were analysed with molecular docking, DFT and QTAIM approach. To spot, describe, and measure the non-covalent interactions (NCIs) of the atoms in the molecules of the monomer and its dimer, some im...

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Detalles Bibliográficos
Autores principales:	Shukla, Akhilesh Kumar, Chaudhary, Aniruddh Prasad, Pandey, Jyoti
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Elsevier 2020
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7533364/ https://www.ncbi.nlm.nih.gov/pubmed/33033758 http://dx.doi.org/10.1016/j.heliyon.2020.e05016

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