Absolute NMR shielding scales and nuclear spin–rotation constants in 175LuX and 197AuX (X = 19F, 35Cl, 79Br and 127I)
Author:
Affiliation:
1. Centre for Theoretical and Computational Chemistry, Department of Chemistry, UiT The Arctic University of Norway, N-9037 Tromsø, Norway
2. Institute of Organic Chemistry, Polish Academy of Sciences, Kasprzaka 44, 01 224 Warszawa, Poland
Funder
European Research Council starting grant
Norwegian Super computing Program (NOTUR)
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4934533
Reference73 articles.
1. Magnetic Shielding of Nuclei in Molecules
2. Magnetic interactions in molecules and an analysis of molecular electronic charge distribution from magnetic parameters
3. Spin—Rotation Interaction and Magnetic Shielding in Molecules
4. Calculation of Diamagnetic Shielding in Molecules
5. Benchmarking density-functional theory calculations of NMR shielding constants and spin–rotation constants using accurate coupled-cluster calculations
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