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 …

Halogen bonding is a noncovalent interaction that is receiving rapidly increasing attention
because of its significance in biological systems and its importance in the design of new …

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 …

Although recognized in small molecules for quite some time, the implications of halogen
bonding in biomolecular systems are only now coming to light. In this study, several systems …

Many covalently-bonded atoms of Groups IV–VII have regions of positive electrostatic
potential (σ-holes) opposite to the bonds, along their extensions. Through these positive …

Halogenation is an important approach in lead optimization for drug development and about
half of the molecules used in high-throughput screening are halogenated. However, there is …

Halogen bonds, the formally noncovalent interactions where the halogen acts as a Lewis
acid, have brought several controversies to the theoretical world regarding its nature and …

The characteristics of the pnicogen bond are explored using a variety of quantum chemical
techniques. In particular, this interaction is compared with its halogen and chalcogen bond …

Studies on the structure and properties of complexes and crystals with halogen bonding
accompanied by different secondary non-covalent interactions are summarized. The signs of …

We have carried out extensive computational analyses of the structure and bonding
mechanism in trihalides DX⋅⋅⋅ A− and the analogous hydrogen‐bonded complexes …