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...

Täydet tiedot

Tallennettuna:
Bibliografiset tiedot
Julkaisussa:Heliyon
Päätekijät: Enudi, Obieze C., Louis, Hitler, Edim, Moses M., Agwupuye, John A., Ekpen, Francis O., Bisong, Emmanuel A., Utsu, Patrick M.
Aineistotyyppi: Artigo
Kieli:Inglês
Julkaistu: Elsevier 2021
Aiheet:
Research Article
Linkit: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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