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Cover Image, Volume 35, Issue 18
Journal Of Computational ChemistryPeer Reviewed2014Journals
The cover shows the crystal structure of monazite‐type LnPO 4 plotted on top of a scanning electron microscopy (SEM) picture of the surface of such a ceramic. These materials are investigated as potential nuclear waste forms by Ariadna Blanca‐Romero, Piotr M. Kowalski, George Beridze, Hartmut Schlenz, and Dirk Bosbach on page 1339 (DOI: 10.1002/jcc.23618 ). The DFT+ U method with PBEsol exchange correlation functional and the Hubbard U parameter derived ab initio , using the linear response approach, results in a superior description of the structure and formation enthalpies of these strongly correlated materials. The SEM image was taken by Yulia Arinicheva at IEK‐6, Forschungszentrum Jülich.

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