After conquering the atomic structure about a century ago, chemists have been largely
interested in understanding the concept of chemical bond and the formation of a molecule …

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 …

Intermolecular charge transport plays an essential role in organic electronic materials and
biological systems. To date, experimental investigations of intermolecular charge transport …

The NonCovalent Interaction index (NCI) enables identification of attractive and repulsive
noncovalent interactions from promolecular densities in a fast manner. However, the …

The crystal growth and orientation of two‐dimensional (2D) perovskite films significantly
impact solar cell performance. Here, we incorporated robust quadrupole‐quadrupole …

Describing non-covalent interactions (NCIs) has shown to be of paramount importance in
many areas of theoretical chemistry and related disciplines, such as biochemistry and …

In the colloidal hypothesis of vacuum residua and asphalt, micelles are assumed to have an
asphaltenic core with the greatest weight and aromaticity and an outer shell composed of …

An interpretation of the reduced density gradient in terms of the bosonic kinetic energy
density is presented. Contrary to other bonding indicators based on the kinetic energy …

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

Electrically pumped organic lasing is one of the most challenging issues in organic
optoelectronics. We present a systematic theoretical investigation to screen out electrical …