Electron dispersion forces play a crucial role in determining the structure and properties of
biomolecules, molecular crystals, and many other systems. However, an accurate …

A density functional theory (DFT) that accounts for van der Waals (vdW) interactions in
condensed matter, materials physics, chemistry, and biology is reviewed. The insights that …

Noncovalent van der Waals (vdW) or dispersion forces are ubiquitous in nature and
influence the structure, stability, dynamics, and function of molecules and materials …

Metal oxide catalysts have numerous industrial applications. 1− 7 In addition, oxides
catalyze many important reactions whose conversion or selectivity is too low to be …

Triangulene, the smallest triplet-ground-state polybenzenoid (also known as Clar's
hydrocarbon), has been an enigmatic molecule ever since its existence was first …

It is commonly assumed that recognition and discrimination of chirality, both in nature and in
artificial systems, depend solely on spatial effects. However, recent studies have suggested …

Owing to their unique properties, hybrid organic–inorganic (HOI) materials with a variety of
spatial architectures have emerged as potential candidates for state-of-the-art applications …

Epitaxy forms the basis of modern electronics and optoelectronics. We report coherent
atomically thin superlattices in which different transition metal dichalcogenide monolayers …

Currently, methane is transformed into methanol through the two-step syngas process,
which requires high temperatures and centralized production. While the slightly exothermic …

Adsorption is essential for many processes on surfaces; therefore, an accurate prediction of
adsorption properties is demanded from both fundamental and technological points of view …