%0 Journal Article
%A Kolář, Michal H.
%A Hobza, Pavel
%T Computer Modeling of Halogen Bonds and Other σ-Hole Interactions
%J Chemical reviews
%V 116
%N 9
%@ 1520-6890
%C Washington, DC
%I ACS Publ.
%M FZJ-2016-05810
%P 5155 - 5187
%D 2016
%X 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 has recently attracted enormous attention. The label is σ-hole, and it was first used in connection with halogens. It initiated a renaissance of interest in halogenated compounds, and later on, when found also on other groups of atoms (chalcogens, pnicogens, tetrels and aerogens), it resulted in a new direction of research of intermolecular interactions. In this review, we summarize advances from about the last 10 years in understanding those interactions related to σ-hole. We pay particular attention to theoretical and computational techniques, which play a crucial role in the field.
%F PUB:(DE-HGF)16
%9 Journal Article
%U <Go to ISI:>//WOS:000375888300009
%$ pmid:26840433
%R 10.1021/acs.chemrev.5b00560
%U https://juser.fz-juelich.de/record/820518