London dispersion, which constitutes the attractive part of the famous van der Waals
potential, has long been underappreciated in molecular chemistry as an important element …

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 …

A category of parallel π‐stacking interaction, termed pancake bonding, is surveyed. The
main characteristics are: the interaction occurs among radicals with highly delocalized π …

The phenalenyl radical is a polycyclic aromatic hydrocarbon (PAH) radical. Owing to its
widely distributed spin structure, phenalenyl is relatively stable compared to other …

Abstract Die London'sche Dispersion, die den attraktiven Teil des Van‐der‐Waals‐
Potentials beschreibt, wurde lange als Element struktureller Stabilität in der molekularen …

The nature of the chemical bond is fundamental to the modern concept of chemistry. Species
that exhibit unusual interactions provide a valuable challenge to current theoretical models …

An olympicenyl radical, a spin 1/2 hydrocarbon radical with C 2 v symmetry and uneven spin
distribution, remains elusive despite the considerable theoretical research interest. Herein …

Pancake π-stacking produces shorter contacts than van der Waals bonding but it has
strongly preferred configurations. By high-level multireference average quadratic coupled …

Using high-throughput screening coupled with state-of-the-art van der Waals density
functional theory, we investigate the adsorption properties of four important molecules, H2 …

Direct evidence for σ-bond fluxionality in a phenalenyl σ-dimer was successfully obtained by
a detailed investigation of the solution-state dynamics of 2, 5, 8-trimethylphenalenyl …