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 …

Much interest has been evinced on the properties of weakly bound van der Waals
complexes of π-systems because of their utility in diverse fields (Figure 1). 1-14 Theoretical …

Understanding the energy it takes to build or break chemical bonds is essential for scientists
and engineers in a wide range of innovative fields, including catalysis, nanomaterials …

▪ Abstract Various aspects of molecular solvation are reviewed from the perspective
provided by gas-phase aromatic solute-(solvent) n clusters. Particular emphasis is placed on …

High-level ab initio calculations were carried out to evaluate the interaction between the π
face of benzene and ammonia as a model of NH/π interaction. The intermolecular …

Recently reported high-level ab initio calculations and gas phase spectroscopic
measurements show that the nature of CH/π interactions is considerably different from …

Publisher Summary The interactions between molecules and molecular systems play key
roles in many important phenomena in chemistry, biological sciences, materials science and …

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

Non‐covalent interactions with aromatic rings pervade modern chemical research. The
strength and orientation of these interactions can be tuned and controlled through …

We employed four newly developed density functional theory (DFT) methods for the
calculation of five π hydrogen bonding systems, namely, H2O− C6H6, NH3− C6H6, HCl …