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Paper

Electric field gradients in Hg compounds: Molecular orbital (MO) analysis and comparison of 4-component and 2-component (ZORA) methods

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Corresponding authors
a
Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK-2100 Copenhagen Ø, Denmark
E-mail: vaida@chem.ku.dk
b
Department of Physics, Chemistry and Pharmacy, University of Southern Denmark, Campusvej 55, DK-5230 Odense M, Denmark
Phys. Chem. Chem. Phys., 2012,14, 16070-16079

DOI: 10.1039/C2CP42291C
Received 05 Jul 2012, Accepted 11 Oct 2012
First published online 12 Oct 2012
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