Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics, 41(20), p. 26463-26478, 2018
DOI: 10.1039/c8cp04075c
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Nature of halogen bonding involving π-systems, nitroxide radicals and carbenes: a highlight of the importance of charge transfer
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Abstract
The adiabatic ALMO-EDA analyses indicate that charge transfer is important in accurate description of halogen bonding (XB) involving π-systems, nitroxide radicals and carbenes as XB acceptors.