Every day, density‐functional theory (DFT) is routinely applied to computational modeling of
molecules and materials with the expectation of high accuracy. However, in certain …

In this review, we provide a consistent description of noncovalent interactions, covering most
groups of the Periodic Table. Different types of bonds are discussed using their trivial …

The halogen bond occurs when there is evidence of a net attractive interaction between an
electrophilic region associated with a halogen atom in a molecular entity and a nucleophilic …

Supramolecular chemistry is “the chemistry of the intermolecular bond, covering the
structures and functions of the entities formed by association of two or more chemical …

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 …

Sigma–hole interactions, in particular halogen bonding (XB) and chalcogen bonding (ChB),
have become indispensable tools in supramolecular chemistry, with wide-ranging …

A covalently-bonded atom typically has a region of lower electronic density, a “σ-hole,” on
the side of the atom opposite to the bond, along its extension. There is frequently a positive …

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 …

On the basis of many literature measurements, a critical overview is given on essential
noncovalent interactions in synthetic supramolecular complexes, accompanied by analyses …

The σ-hole and π-hole are the regions with positive surface electrostatic potential on the
molecule entity; the former specifically refers to the positive region of a molecular entity …