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Density Functional Theory and Molecular Docking Investigations of the Chemical and Antibacterial Activities for 1-(4-Hydroxyphenyl)-3-phenylprop-2-en-1-one

The present investigation informs a descriptive study of 1-(4-Hydroxyphenyl) -3-phenylprop-2-en-1-one compound, by using density functional theory at B3LYP method with 6-311G** basis set. The oxygen atoms and π-system revealed a high chemical reactivity for the title compound as electron donor spots...

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Detalles Bibliográficos
Autores principales:	Deghady, Ahmed M., Hussein, Rageh K., Alhamzani, Abdulrahman G., Mera, Abeer
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8231836/ https://www.ncbi.nlm.nih.gov/pubmed/34198585 http://dx.doi.org/10.3390/molecules26123631

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