The existence of a two-center, three-electron hemibond in the first solvation shell •OH(aq) has long been matter debate. manifests ab initio molecular dynamics simulations as small-r feature oxygen radial distribution function (RDF) for H2O···•OH, but that disappears when semilocal density functionals are replaced with hybrids, suggesting self-interaction artifact. Using periodic at PBE0+D3 lev...
