Theoretical study of interaction between Mexiletine drug and pristine, Si-, Ga- and Al-doped boron nitride nano sheet.

ABSTRACTIn this study, the adsorption behavior of pristine, -Si, -Ga and -Al doped boron nitride nanosheet (BNN) is investigated toward the mexiletine drug using density functional theory (DFT) calculations. Total energies, geometry optimizations were obtained and density of state (DOS) analysis was...

Ausführliche Beschreibung

Bibliografische Detailangaben

1. Verfasser:	Mahla Mosavi
Format:	Artigo
Sprache:	Inglês
Veröffentlicht:	Iranian Chemical Science and Technologies Association 2022-08-01
Schriftenreihe:	Journal of Chemistry Letters
Schlagworte:	adsorption boron nitride nanosheet mexiletine dft optimization
Online-Zugang:	https://www.jchemlett.com/article_166322_7a38dae907d984881e122541c84006d2.pdf
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