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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Dettagli Bibliografici
Pubblicato in:Heliyon
Autori principali: Enudi, Obieze C., Louis, Hitler, Edim, Moses M., Agwupuye, John A., Ekpen, Francis O., Bisong, Emmanuel A., Utsu, Patrick M.
Natura: Artigo
Lingua:Inglês
Pubblicazione: Elsevier 2021
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Research Article
Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC8282981/
https://ncbi.nlm.nih.gov/pubmed/34296019
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.heliyon.2021.e07531
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