Intermolecular interactions involving aromatic rings are key processes in both chemical and
biological recognition. Their understanding is essential for rational drug design and lead …

Forces to reckon with: Supramolecular complexes, such as the one shown, are normally
based on a combination of different interactions such as ion pairing, hydrogen bonds, and …

The CH/π hydrogen bond is an attractive molecular force occurring between a soft acid and
a soft base. Contribution from the dispersion energy is important in typical cases where …

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 …

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 …

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 …

Ubiquitous van der Waals interactions between atoms and molecules are important for many
molecular and solid structures. These systems are often studied from first principles using …

Molecular clusters are nowadays preferred model systems to study both the energetics and
dynamics of molecules in a tailored molecular environment. 1-5 For the physical chemist …