We study the hydrogen bonding structure of water models at supercritical conditions by molecular dynamics to directly compare with recent microstructural data obtained by neutron diffraction with isotopic substitution (NDIS) experiments. We also study the angular dependence of the hydrogenoxygen pair distribution function to gain insight into the hydrogen bonding mechanism in the molecular mode...

Intramolecular hydrogen bonds play critical structure- and function-serving roles in biological and synthetic molecular systems. This special issue, through eight contributions, showcases the prominence of these non-covalent interactions within several scientific disciplines, and in various structural contexts and environments. Reported, for example, are the consequences of intramolecular hydro...

Ionic liquids (IL) and hydrogen bonding (H-bonding) are two diverse fields for which there is a developing recognition of significant overlap. Doubly ionic H-bonds occur when a H-bond forms between a cation and anion, and are a key feature of ILs. Doubly ionic H-bonds represent a wide area of H-bonding which has yet to be fully recognised, characterised or explored. H-bonds in ILs (both protic ...