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...
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Veröffentlicht in: | Structural chemistry 2020-04, Vol.31 (2), p.795-807 |
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Format: | Artikel |
Sprache: | eng |
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