2 papers
cond-mat.mes-hall2020
Correlated Energy-Level Alignment Effects Determine Substituent-Tuned Single-Molecule Conductance
Jeffrey A. Ivie, Nathan D. Bamberger, Keshaba N. Parida +7
The rational design of single molecule electrical components requires a deep and predictive understanding of structure-function relationships. Here we explore the relationship betw…
cond-mat.mtrl-sci2008
A new class of organic molecular magnets
William A. Shelton, Edoardo Apra, Bobby G. Sumpter +4
Using detailed first principles calculations, we have found a new class of stable organic molecular magnets based on zwitterionic molecules possessing donor, bridge, and accept…