Structural and electronic properties of adsorbed nucleobases on pristine and Al-doped coronene in absence and presence of external electric fields: a computational study

The adsorption of nucleobases (NBs) on pristine and aluminum-doped coronene (Al-coronene) has been studied theoretically using density functional theory (DFT) method in the presence/absence of external electric fields (EFs) having different strengths. The changes in geometric and electronic structur...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:Structural chemistry 2020-04, Vol.31 (2), p.795-807
Hauptverfasser: Afshari, Tooba, Mohsennia, Mohsen
Format: Artikel
Sprache:eng
Schlagworte:
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!