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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Bibliografiske detaljer
Udgivet i:Heliyon
Main Authors: Enudi, Obieze C., Louis, Hitler, Edim, Moses M., Agwupuye, John A., Ekpen, Francis O., Bisong, Emmanuel A., Utsu, Patrick M.
Format: Artigo
Sprog:Inglês
Udgivet: Elsevier 2021
Fag:
Research Article
Online adgang: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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