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@ARTICLE{Kol:820518,
author = {Kolář, Michal H. and Hobza, Pavel},
title = {{C}omputer {M}odeling of {H}alogen {B}onds and {O}ther
σ-{H}ole {I}nteractions},
journal = {Chemical reviews},
volume = {116},
number = {9},
issn = {1520-6890},
address = {Washington, DC},
publisher = {ACS Publ.},
reportid = {FZJ-2016-05810},
pages = {5155 - 5187},
year = {2016},
abstract = {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.},
cin = {IAS-5 / INM-9},
ddc = {540},
cid = {I:(DE-Juel1)IAS-5-20120330 / I:(DE-Juel1)INM-9-20140121},
pnm = {899 - ohne Topic (POF3-899)},
pid = {G:(DE-HGF)POF3-899},
typ = {PUB:(DE-HGF)16},
UT = {WOS:000375888300009},
pubmed = {pmid:26840433},
doi = {10.1021/acs.chemrev.5b00560},
url = {https://juser.fz-juelich.de/record/820518},
}