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Physical Chemistry Chemical Physics

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Basis-set extensions for two-component spin–orbit treatments of heavy elements

Corresponding authors
Center for Functional Nanostructures (CFN) and Lehrstuhl für Theoretische Chemie, Institut für Physikalische Chemie, Universität Karlsruhe (TH), Karlsruhe, Germany
Forschungszentrum Karlsruhe GmbH, Institut für Nanotechnologie, P. O. Box 3640, Karlsruhe, Germany
E-mail: florian.weigend@int.fzk.de
Phys. Chem. Chem. Phys., 2006,8, 4862-4865

DOI: 10.1039/B610211E
Received 17 Jul 2006, Accepted 15 Sep 2006
First published online 22 Sep 2006
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