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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Jun-2017/Lv3 Lv3Swart, MarcelADF; 2017Geometry optimizationDFTTZ2P-
thumbnail.jpeg20-May-2019/FePO4 1_EaOC_Ofc_Hstrip_InitialScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationDFT--1255.27033237; eV
thumbnail.jpeg20-May-2019/FePO4 1_EaOC_Cl_Hstrip_InitialScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationDFT--1263.85671013; eV
thumbnail.jpeg20-May-2019/FePO4 2_EaOC_Cl_Cladd_FinalScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationDFT--1256.93588718; eV
thumbnail.jpeg20-May-2019/FePO4 1_EaOC_Ofc_Hstrip_FinalScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationDFT--1255.35455215; eV
thumbnail.jpeg20-May-2019/FePO4 2_EaOC_Cl_Cladd_InitialScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationDFT--1255.20363405; eV
thumbnail.jpeg7-Oct-2019NaCl(001)_KNbO3(001)Amaya Suárez, Javiervasp; 5.4.1; 24Jun15 (build Dec 04 2017 15:02:45) complexGeometry optimizationDFT--77.17596360; eV
thumbnail.jpeg13-Feb-2020/5/D5 D5Korkus Hamal, Estervasp; 5.3.3; 18Dez12 (build Sep 16 2013 14:52:01) complexGeometry optimizationDFT--283.13401859; eV
thumbnail.jpeg13-Feb-2020/7/B7 B7Korkus Hamal, Estervasp; 5.3.3; 18Dez12 (build Sep 16 2013 14:52:01) complexGeometry optimizationDFT--278.29711357; eV
thumbnail.jpeg13-Feb-2020/7/D7 D7Korkus Hamal, Estervasp; 5.3.3; 18Dez12 (build Sep 16 2013 14:52:01) complexGeometry optimizationDFT--282.87495523; eV
Results 1-10 of 193 (Search time: 0.002 seconds).