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| Hauptseite > Publikationsdatenbank > Computer Modeling of Halogen Bonds and Other σ-Hole Interactions > print |
| Hauptseite > Publikationsdatenbank > Computer Modeling of Halogen Bonds and Other σ-Hole Interactions > print |
| 001 | 820518 | ||
| 005 | 20240625095122.0 | ||
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| 100 | 1 | _ | |a Kolář, Michal H. |0 P:(DE-HGF)0 |b 0 |e Corresponding author |
| 245 | _ | _ | |a Computer Modeling of Halogen Bonds and Other σ-Hole Interactions |
| 260 | _ | _ | |a Washington, DC |c 2016 |b ACS Publ. |
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| 520 | _ | _ | |a 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. |
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