The drug discovery process is a rocky path that is full of challenges, with the result that very
few candidates progress from hit compound to a commercially available product, often due …

Molecular simulation methods, such as molecular docking, molecular dynamic (MD)
simulation, and quantum chemical (QC) calculation, have become popular as …

The platinum-catalysed hydrogen evolution reaction (HER) generally shows poorer kinetics
in alkaline electrolyte and represents a key challenge for alkaline water electrolysis. In the …

Organic solar cells (OSCs) have experienced rapid progress with the innovation of near‐
infrared (NIR)‐absorbing small‐molecular acceptors (SMAs), while the unique electronic …

Aqueous Zn-based batteries (ZIBs) possess huge advantages in terms of high safety, low
cost, and environmental friendliness. However, the lack of suitable cathodes with high …

Wearable sweat sensors have the potential to revolutionize precision medicine as they can
non‐invasively collect molecular information closely associated with an individual's health …

Abstract Here, using Pd 2+, Fe 3+, and Ni 2+ ions, we established new imidazole
complexes. These complexes were described in the initial section to provide their chemical …

The electrochemical performance of layered vanadium oxides is often improved by
introducing guest species into their interlayer. Guest species with high stability in the …

DFTB3 is a recent extension of the self-consistent-charge density-functional tight-binding
method (SCC-DFTB) and derived from a third order expansion of the density functional …

Present investigation describes the green corrosion inhibition and adsorption behaviour of
two synthesized pyrimidine derivatives, namely, 6, 6′-(1, 4-phenylene) bis (4-oxo-2-thioxo …