We investigated the solvation and spectroscopic properties of SO2 at the air/water interface using molecular simulation. Molecular interactions from both Kohn−Sham (KS) density functional theory (DFT) ...

High-performance vertically illuminated Schottky photodiodes with indium-tin-oxide (ITO) Schottky layers were designed, fabricated, and tested. Ternary and quarternary III-V material systems ...

Vibrational spectroscopy is a valuable and widely used analytical tool for the characterization of chemical substances. We investigate the performance of semiempirical quantum mechanical GFN ...