Single-molecule conductance variations of up to four orders of magnitude via contacting electrodes with different anchoring sites

The adsorbent for efficient iodine capture based on citrazinic acid and cytosine: experimental synthesis with a simple way and property analysis with electronic structure calculations

Molecular Conditional Generation and Property Analysis of Non-Fullerene Acceptors with Deep Learning

Light Driven Mechanism of Carbon Dioxide Reduction Reaction to Carbon Monoxide on Gold Nanoparticles: A Theoretical Prediction

Electronic Couplings for Photoinduced Charge Transfer and Excitation Energy Transfer Based on Fragment Particle-Hole Densities

Joint Effects of Exciton-Exciton and Exciton-Photon Couplings on the Singlet Fission Dynamics in Organic Aggregates

Vibrationally Resolved Absorption Spectra and Exciton Dynamics in Zinc Phthalocyanine Aggregates: Effects of Aggregation Lengths and Remote Exciton Transfer