The activation strain model is a powerful tool for understanding reactivity, or inertness, of
molecular species. This is done by relating the relative energy of a molecular complex along …

The powerful independent gradient model (IGM) method has been increasingly popular in
visual analysis of intramolecular and intermolecular interactions in recent years. However …

This work provides new insights from our team regarding advances in targeting canonical
and non-canonical nucleic acid structures. This modality of medical treatment is used as a …

The halogen bond is a class of non-covalent interaction that has attracted considerable
attention recently. A widespread theory for describing them is the σ-hole concept, which …

This Article revisits the “Definition of the Halogen Bond (IUPAC Recommendations
2013)”[Desiraju, GR Pure Appl. Chem. 2013, 85 (8), 1711–1713], recommendations that fail …

Halogen bonding is often described as being driven predominantly by electrostatics, and
thus adducts between anionic halogen bond (XB) donors (halogen‐based Lewis acids) and …

Can two sites of positive electrostatic potential localized on the outer surfaces of two
halogen atoms (and especially fluorine) in different molecular domains attract each other to …

The alkali metal ion affinity of guanine quadruplexes has been studied using dispersion-
corrected density functional theory (DFT-D). We have done computational investigations in …

Halogen bonding is a flourishing field of research, but has for long been little recognized.
The same goes for its scientific hero, Odd Hassel, who laid the foundations for all current …

The covalent nature of strong N− Br⋅⋅⋅ N halogen bonds in a cocrystal (2) of N‐
bromosuccinimide (NBS) with 3, 5‐dimethylpyridine (lut) was determined from X‐ray charge …