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Physical Chemistry Chemical Physics

High quality research in physical chemistry, chemical physics and biophysical chemistry.

Paper

Giant spin–orbit effects on 1H and 13C NMR shifts for uranium(VI) complexes revisited: role of the exchange–correlation response kernel, bonding analyses, and new predictions

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Corresponding authors
a
Institut für Chemie, Technische Universität Berlin, Strasse des 17. Juni 135, D-10623 Berlin, Germany
E-mail: peter.hrobarik@tu-berlin.de, martin.kaupp@tu-berlin.de
b
Department of Chemistry, University at Buffalo, State University of New York, Buffalo, USA
Phys. Chem. Chem. Phys., 2016,18, 30462-30474

DOI: 10.1039/C6CP06129J
Received 05 Sep 2016, Accepted 18 Oct 2016
First published online 18 Oct 2016
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Supplementary Info