Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics, 28(17), p. 18834-18842, 2015
DOI: 10.1039/c5cp02682b
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The importance of current contributions to shielding constants in density-functional theory
Journal article published in 2015 by
Sarah Reimann,
Ulf Ekström,
Stella Stopkowicz 
,
Andrew M. Teale,
Alex Borgoo,
Trygve Helgaker
,
Andrew M. Teale,
Alex Borgoo,
Trygve Helgaker
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Abstract
The sources of error in the calculation of nuclear-magnetic-resonance shielding constants determined by density-functional theory are examined.