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Physical Chemistry Chemical Physics

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


Use of site symmetry in supercell models of defective crystals: polarons in CeO2

Corresponding authors
Department of Chemistry, St. Petersburg State University, St. Petersburg, Russia
Department of Theoretical Physics and Computer Modelling, Institute of Solid State Physics, University of Latvia, Riga, Latvia
E-mail: gryaznov@cfi.lu.lv
Department of Physical Chemistry of Solids, Max Planck Institute for Solid State Research, Stuttgart, Germany
Phys. Chem. Chem. Phys., 2017,19, 8340-8348

DOI: 10.1039/C6CP08582B
Received 16 Dec 2016, Accepted 10 Feb 2017
First published online 10 Feb 2017
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