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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg8-Jan-2020/Energies_to_plot_Pourbaix_diagram/Undoped_bulk_pbe_hse/ni3o4 hsepbeZhou, Yechengvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 26 2018 02:11:18) complexSingle pointDFT--110.47631199; eV
thumbnail.jpeg8-Jan-2020/Energies_to_plot_Pourbaix_diagram/Undoped_bulk_pbe_hse/ni3o4 pbeoptZhou, Yechengvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 26 2018 02:11:18) complexSingle pointDFT--70.76991033; eV
thumbnail.jpeg8-Jan-2020/Energies_to_plot_Pourbaix_diagram/Undoped_bulk_pbe_hse/nio2 pbeoptZhou, Yechengvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 26 2018 02:11:18) complexSingle pointDFT--28.89933826; eV
thumbnail.jpeg8-Jan-2020/Energies_to_plot_Pourbaix_diagram/Undoped_bulk_pbe_hse/nio hsepbeZhou, Yechengvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 03 2017 21:06:31) complexSingle pointDFT--32.42915073; eV
thumbnail.jpeg8-Jan-2020/Energies_to_plot_Pourbaix_diagram/Undoped_bulk_pbe_hse/nio pbeoptZhou, Yechengvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 03 2017 21:06:31) complexSingle pointDFT--20.54265390; eV
thumbnail.jpeg28-Sep-2021/cation-accumulation Au(111)-3sqrt3x3sqrt3-Li-t-1141-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlySingle pointDFT--1402.25132853; eV
thumbnail.jpeg8-Jan-2020/Energies_to_plot_Pourbaix_diagram/doped_bulk_pbe_hse/ni3o4 hsestc2Zhou, Yechengvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 03 2017 21:06:31) complexSingle pointDFT--464.68806233; eV
thumbnail.jpeg8-Jan-2020/Energies_to_plot_Pourbaix_diagram/doped_bulk_pbe_hse/ni3o4 pbestcZhou, Yechengvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 03 2017 21:06:31) complexSingle pointDFT--285.89386099; eV
thumbnail.jpeg8-Jan-2020/Energies_to_plot_Pourbaix_diagram/Undoped_bulk_pbe_hse/nio2h2 hsepbeZhou, Yechengvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 03 2017 21:06:31) complexSingle pointDFT--34.41683030; eV
thumbnail.jpeg8-Jan-2020/Energies_to_plot_Pourbaix_diagram/Undoped_bulk_pbe_hse/nio2h2 pbeoptZhou, Yechengvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 03 2017 21:06:31) complexSingle pointDFT--25.14932632; eV
Results 21-30 of 6002 (Search time: 0.003 seconds).