In the field of noncovalent interactions a new paradigm has recently become popular. It
stems from the analysis of molecular electrostatic potentials and introduces a label, which …

Non‐covalent interactions play a crucial role in (supramolecular) chemistry and much of
biology. Supramolecular forces can indeed determine the structure and function of a host …

The application domain of accurate and efficient CE-B3LYP and CE-HF model energies for
intermolecular interactions in molecular crystals is extended by calibration against density …

This Tutorial Review, aimed at both the novice and the seasoned solid-state chemist,
provides a succinct overview of key findings that have, over the last half century, advanced …

We present an approach to understanding crystal packing via 'energy frameworks', that
combines efficient calculation of accurate intermolecular interaction energies with a novel …

The founding in 1965 of what is now called the Cambridge Structural Database (CSD) has
reaped dividends in numerous and diverse areas of chemical research. Each of the million …

The energy of interaction between molecules is commonly expressed in terms of four key
components: electrostatic, polarization, dispersion, and exchange-repulsion. Using …

A halogen bond is a highly directional, electrostatically-driven noncovalent interaction
between a region of positive electrostatic potential on the outer side of the halogen X in a …

Using four different benchmark sets of molecular crystals, we establish the level of
confidence for lattice energies estimated using CE-B3LYP model energies and experimental …

Rubrene is one of the most studied organic semiconductors to date due to its high charge
carrier mobility which makes it a potentially applicable compound in modern electronic …