Coherence refers to correlations in waves. Because matter has a wave-particle nature, it is
unsurprising that coherence has deep connections with the most contemporary issues in …

Charge transfer and charge transport are by far among the most important processes for
sustaining life on Earth and for making our modern ways of living possible. Involving multiple …

How substituents affect the conductance of single‐molecule junctions has been a subject of
ongoing debate. Here, a comparative study on the transport properties across a broader …

In the nonresonant regime, molecular conductance decays exponentially with distance,
limiting the fabrication of efficient molecular semiconductors at the nanoscale. In this work …

In this study, we first obtain the single-band tight-binding parameters of a B7 cluster in terms
of matching the HOMO–LUMO levels obtained from density functional theory (DFT). Next …

The ability to control the chemical conformation of a system via external stimuli is a
promising route for develo** molecular switches. For eventual deployment as viable sub …

To spectroscopically qualify strength in the π-electron conjugation, the electronic spectra of
jet-cooled 1, 4-bis (phenylethynyl) benzene (BPEB) in the region of the transition to the …

Sonogashira reactions are utilized herein to react iodo-ferrocenes and-biferrocenes with
terminal alkyne ligands, functionalized with both pyridine and thioanisole groups. High …

We present a theoretical and computational work and demonstrate that cross-conjugated
molecules with electron-donating groups are efficient rectifiers with high conductance. The …

Electron transfer (ET) in donor–bridge–acceptor (DBA) compounds depends strongly on the
structural and electronic properties of the bridge. Among the bridges that support donor …