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Towards systematically improvable models for actinides in condensed phase: the electronic spectrum of uranyl in Cs2UO2Cl4 as a test case

Corresponding authors
Université de Lille 1, Laboratoire PhLAM, CNRS UMR 8523, CNRS FR 2416, Bât P5, F-59655 Villeneuve d'Ascq Cedex, France
Fax: +33 3 2033 7020
Tel: +33 3 2043 4980
Karlsruhe Institute of Technology (KIT), Center for Functional Nanostructures and Institute of Physical Chemistry, Wolfgang-Gaede-Str. 1a, 76131 Karlsruhe, Germany
Amsterdam Center for Multiscale Modeling, Department of Theoretical Chemistry, Faculty of Sciences, Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081 HV Amsterdam, Netherlands
Phys. Chem. Chem. Phys., 2013,15, 15153-15162

DOI: 10.1039/C3CP52090K
Received 17 May 2013, Accepted 11 Jul 2013
First published online 12 Jul 2013
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