38 citations · 38 across the 2 of their papers we have counts for
3 papers
physics.chem-ph2018
Quinone-based Switches for Candidate Building Blocks of Molecular Junctions with QTAIM and the Stress Tensor
Tianlv Xu, Lingling Wang, Yang Ping +4
The current work investigates candidate building blocks based on molecular junctions from hydrogen transfer tautomerization in the benzoquinone-like core of an azophenine molecule…
physics.atm-clus2018
A Quinone Based Single-Molecule Switch as Building Block for Molecular Electronics
Herbert Fruchtl, Tanja van Mourik
Azophenine has previously been identified as a controllable molecular switch when deposited on a Cu(110) surface, where it can be in two symmetry-equivalent states. Each of the two…
physics.chem-ph2017★ 38 cited
Adsorption energies of benzene on close packed transition metal surfaces using the random phase approximation
J. A. Garrido Torres, B. Ramberger, H. Früchtl +2
The adsorption energy of benzene on various metal substrates is predicted using the random phase approximation (RPA) for the correlation energy. Agreement with available experiment…