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000820518 1001_ $$0P:(DE-HGF)0$$aKolář, Michal H.$$b0$$eCorresponding author
000820518 245__ $$aComputer Modeling of Halogen Bonds and Other σ-Hole Interactions
000820518 260__ $$aWashington, DC$$bACS Publ.$$c2016
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000820518 520__ $$aIn 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.
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