Aromaticity indices, electronic structural properties, and fuzzy atomic space investigations of naphthalene and its aza-derivatives

The aromaticity and CDFT properties of naphthalene and its aza-derivatives were theoretically investigated using density functional theory (DFT) electronic structure method. The reactivity and chemistry of Azanaphthalene (1-AN), 1, 2-diazanaphthalene (1, 2-DAN), 1, 3-diazanaphthalene (1, 3-DAN), 1,...

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Detalhes bibliográficos
Publicado no:Heliyon
Main Authors: Edim, Moses M., Enudi, Obieze C., Asuquo, Bassey B., Louis, Hitler, Bisong, Emmanuel A., Agwupuye, John A., Chioma, Apebende G., Odey, Joseph O., Joseph, Innocent, Bassey, Francisca I.
Formato: Artigo
Idioma:Inglês
Publicado em: Elsevier 2021
Assuntos:
Research Article
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7856479/
https://ncbi.nlm.nih.gov/pubmed/33553781
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.heliyon.2021.e06138
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