Understanding the aqueous chemistry of quinoline and the diazanaphthalenes: insight from DFT study

The inter-fragment interactions at various binding sites and the overall cluster stability of quinolone (QNOL), cinnoline (CNOL), quinazoline (QNAZ), and quinoxaline (QNOX) complexes with H(2)O were studied using the density functional theory (DFT) approach. The adsorption and H-bond binding energie...

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Detalles Bibliográficos
Autores principales: Enudi, Obieze C., Louis, Hitler, Edim, Moses M., Agwupuye, John A., Ekpen, Francis O., Bisong, Emmanuel A., Utsu, Patrick M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2021
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8282981/
https://www.ncbi.nlm.nih.gov/pubmed/34296019
http://dx.doi.org/10.1016/j.heliyon.2021.e07531

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8282981/
https://www.ncbi.nlm.nih.gov/pubmed/34296019
http://dx.doi.org/10.1016/j.heliyon.2021.e07531

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