Role of the binding motifs in the energy level alignment and conductance of amine-gold linked molecular junctions within DFT and DFT+ Σ

MONTES MUÑOZ, Enrique, VÁZQUEZ, Héctor. Role of the binding motifs in the energy level alignment and conductance of amine-gold linked molecular junctions within DFT and DFT+ Σ. Applied Sciences-Basel. 2021, 11(2), 802. E-ISSN 2076-3417. Available: doi: 10.3390/app11020802.