Browsing by Author López, Núria

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Showing results 1 to 6 of 6
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Feb-2018EuOBr_bulkLópez, Núriavasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimization---48.01463447; eV
thumbnail.jpeg1-Feb-2018EuOBr_surfaceLópez, Núriavasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimization---378.46853794; eV
Login required17-Sep-2018/NiO-AFM U5López, Núriavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexGeometry optimizationDFT--405.56484929; eV
Login required17-Sep-2018/NiO-FM U5López, Núriavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexGeometry optimizationDFT--403.98066210; eV
thumbnail.jpeg1-Feb-2018VO2P2O7_bulkLópez, Núriavasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimization---819.03791944; eV
thumbnail.jpeg1-Feb-2018VO2P2O7_surfaceLópez, Núriavasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimization---1662.29459193; eV