[HTML][HTML] Reliable Dimerization Energies for Modeling of Supramolecular Junctions
J Czernek, J Brus - International Journal of Molecular Sciences, 2024 - mdpi.com
Accurate estimates of intermolecular interaction energy, Δ E, are crucial for modeling the
properties of organic electronic materials and many other systems. For a diverse set of 50 …
properties of organic electronic materials and many other systems. For a diverse set of 50 …
[HTML][HTML] Revisiting the Most Stable Structures of the Benzene Dimer
J Czernek, J Brus - International Journal of Molecular Sciences, 2024 - mdpi.com
The benzene dimer (BD) is an archetypal model of π∙∙∙ π and C–H∙∙∙ π noncovalent
interactions as they occur in its cofacial and perpendicular arrangements, respectively. The …
interactions as they occur in its cofacial and perpendicular arrangements, respectively. The …
Photosystem I complexes form remarkably stable self-assembled tunneling junctions
N Torabi, RC Chiechi - Nanoscale, 2024 - pubs.rsc.org
This paper describes large-area molecular tunneling junctions comprising self-assembled
monolayers (SAMs) of light-harvesting protein complexes using eutectic Ga–In (EGaIn) as a …
monolayers (SAMs) of light-harvesting protein complexes using eutectic Ga–In (EGaIn) as a …
Conductance and assembly of quasi-1D coordination chain molecular junctions with triazole derivatives
Incorporating transition metal atoms into metal-molecule-metal junctions presents
opportunities for exploring the electronic properties of coordination complexes …
opportunities for exploring the electronic properties of coordination complexes …
Dynamic formation of Au-C anchors in molecular junctions
Terminal anchor groups play a key role in controlling the stability and electronic properties of
molecular junctions. Single molecule junctions typically consist of two terminal anchors …
molecular junctions. Single molecule junctions typically consist of two terminal anchors …