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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Aug-2018/slabs/segregation/ni5p4 layer10_P_159_Ni_91Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1281.78357984; eV
thumbnail.jpeg23-Aug-2018/slabs/segregation/ni5p4 layer10_P_159_Ni_104Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1281.30653851; eV
thumbnail.jpeg23-Aug-2018/slabs/segregation/ni5p4 layer9_P_159_Ni_96Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1280.89749343; eV
thumbnail.jpeg23-Aug-2018/slabs/segregation/ni5p4 layer10_Ni_93_P_177Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1282.35634024; eV
thumbnail.jpeg23-Aug-2018/slabs/segregation/ni5p4 layer8_Ni_93_P_195Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1283.49790512; eV
thumbnail.jpeg23-Aug-2018/slabs/segregation/ni5p4 layer9_Ni_93_P_196Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1282.33068413; eV
thumbnail.jpeg23-Aug-2018/slabs/segregation/ni5p4 layer9_Ni_19_P_196Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1282.53861438; eV
thumbnail.jpeg23-Aug-2018/ni4p3_ni5p4/ts_c2h2_PP_site c2h6Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--883.92640699; eV
thumbnail.jpeg23-Aug-2018/slabs/islanding/ni3p1 1_81_18Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--633.86454092; eV
thumbnail.jpeg23-Aug-2018/ni3p2_ni2p/c2h6 1Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--673.77122106; eV
Results 1011-1020 of 1038 (Search time: 0.001 seconds).