Assessment of long-range corrected density functional theory on the absorption and vibrationally resolved fluorescence spectrum of carbon nanobelts

von Ahn, Dae-Hwan
Veröffentlicht in: Journal of computational chemistry (2021)

Predicting whether aromatic molecules would prefer to enter a carbon nanotube A density functional theory study

von Ahn, Dae-Hwan
Veröffentlicht in: Journal of computational chemistry (2020)