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Determination of Krypton Diffusion Coefficients in Uranium Dioxide Using Atomic Scale Calculations.
Inorg Chem. 2017 Jan 3;56(1):125-137. doi: 10.1021/acs.inorgchem.6b01560. Epub 2016 Dec 16.
Inorg Chem. 2017.
PMID: 27983828
DFT + U investigation of charged point defects and clusters in UO2.
Vathonne E, Wiktor J, Freyss M, Jomard G, Bertolus M.
Vathonne E, et al.
J Phys Condens Matter. 2014 Aug 13;26(32):325501. doi: 10.1088/0953-8984/26/32/325501. Epub 2014 Jul 17.
J Phys Condens Matter. 2014.
PMID: 25031239
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A DFT study on the initial stage of thermal degradation of Poly(methyl methacrylate)/carbon nanotube system.
Minisini B, Vathonne E, Chivas-Joly C, Lopez-Cuesta JM.
Minisini B, et al. Among authors: vathonne e.
J Mol Model. 2013 Feb;19(2):623-9. doi: 10.1007/s00894-012-1584-z. Epub 2012 Sep 16.
J Mol Model. 2013.
PMID: 22983652
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