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Showing results 197631 to 197638 of 197638 < previous 
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg7-Oct-2019ZnS(110)_KNbO3(001)Amaya Suárez, Javiervasp; 5.4.1; 24Jun15 (build Dec 04 2017 09:28:37) complexSingle pointDFT--209.63671770; eV
thumbnail.jpeg7-Oct-2019ZnSe(110)_KNbO3(001)Amaya Suárez, Javiervasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complexSingle pointDFT--173.46626492; eV
Login required17-Apr-2020ZnSe_bulkMates Torres, Ericvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complexGeometry optimizationDFT--24.75056211; eV
thumbnail.jpeg16-Feb-2021ZrO2_Ca-doped_Surfacede Souza, EugenioQuantumEspresso; 6.3Geometry optimizationPBEUltrasoft-106754.942626; eV
thumbnail.jpeg16-Feb-2021ZrO2_Ca-ZrO2_double-vac_Surfacede Souza, EugenioQuantumEspresso; 6.3Geometry optimizationPBEUltrasoft-106310.032048; eV
thumbnail.jpeg16-Feb-2021ZrO2_StoichiometricSurf_PBEde Souza, EugenioQuantumEspresso; 6.3Geometry optimizationPBEUltrasoft-107528.860846; eV
thumbnail.jpeg16-Feb-2021ZrO2_VO2c_surfacede Souza, EugenioQuantumEspresso; 6.3Geometry optimizationPBEUltrasoft-107083.966691; eV
thumbnail.jpeg16-Feb-2021ZrO2_VO4c1_surfacede Souza, EugenioQuantumEspresso; 6.3Geometry optimizationPBEUltrasoft-107084.168613; eV