Halogen Bond of Halonium Ions: Benchmarking DFT Methods for the Description of NMR Chemical Shifts
Author:
Affiliation:
1. Department of Chemistry—BMC, Uppsala University, Box 576, 751 23 Uppsala, Sweden
Funder
Svenska Forskningsr?det Formas
Vetenskapsr?det
Faculty Funded Research, Uppsala University
Olle Engkvist Foundation
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
http://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c00860
Reference115 articles.
1. Definition of the halogen bond (IUPAC Recommendations 2013)
2. The Halogen Bond
3. Halogen bonds of halonium ions
4. Symmetry of three-center, four-electron bonds
5. Symmetry of [N–X–N]+halogen bonds in solution
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