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Paper

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

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a
Université de Lille 1, Laboratoire PhLAM, CNRS UMR 8523, CNRS FR 2416, Bât P5, F-59655 Villeneuve d'Ascq Cedex, France
E-mail: andre.gomes@univ-lille1.fr;
Fax: +33 3 2033 7020 ;
Tel: +33 3 2043 4980
b
Karlsruhe Institute of Technology (KIT), Center for Functional Nanostructures and Institute of Physical Chemistry, Wolfgang-Gaede-Str. 1a, 76131 Karlsruhe, Germany
E-mail: christoph.jacob@kit.edu
c
Amsterdam Center for Multiscale Modeling, Department of Theoretical Chemistry, Faculty of Sciences, Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081 HV Amsterdam, Netherlands
E-mail: l.visscher@vu.nl
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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