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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg/Energies_to_plot_Pourbaix_diagram/Energy_of_gas_phase/Energy_of_Hydrogen_ Energy_of_Hydrogen_Zhou, Yechengvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--6.77313915; eV
thumbnail.jpeg/Energies_to_plot_Pourbaix_diagram/Energy_of_gas_phase/Energy_of_Hydrogen_ PBEsolZhou, Yechengvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--6.51532597; eV
thumbnail.jpeg/Energies_to_plot_Pourbaix_diagram/Energy_of_gas_phase/Energy_of_Hydrogen_ E-H2-HSEZhou, Yechengvasp; 5.3.5; 31Mar14 (build Jun 18 2014 16:11:06) complexDFT-2.25934831; eV
thumbnail.jpeg/Energies_to_plot_Pourbaix_diagram/Energy_of_gas_phase/Energy_of_O2 E_O2_PBEZhou, Yechengvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--9.87105101; eV
thumbnail.jpeg/Energies_to_plot_Pourbaix_diagram/Energy_of_gas_phase/Energy_of_O2 E_O2_PSZhou, Yechengvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--9.15415509; eV
thumbnail.jpeg/Energies_to_plot_Pourbaix_diagram/Energy_of_gas_phase/Energy_of_O2 E_O2_HSEZhou, Yechengvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--13.96858344; eV
thumbnail.jpeg/Energies_to_plot_Pourbaix_diagram/Energy_of_gas_phase/Energy_of_H2O Energy_of_H2O_PBEZhou, Yechengvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexDFT--14.23452787; eV
thumbnail.jpeg/Energies_to_plot_Pourbaix_diagram/Energy_of_gas_phase/Energy_of_H2O Energy_of_H2O_PSZhou, Yechengvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexDFT--14.30716363; eV
thumbnail.jpeg/Energies_to_plot_Pourbaix_diagram/Energy_of_gas_phase/Energy_of_H2O Energy_of_H2O_HSEZhou, Yechengvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexDFT--17.48335956; eV
thumbnail.jpeg/Energies_to_plot_Pourbaix_diagram/Energy_of_gas_phase/ZPE H2Zhou, Yechengvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--6.77313919; eV
thumbnail.jpeg/Energies_to_plot_Pourbaix_diagram/Energy_of_gas_phase/ZPE O2Zhou, Yechengvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--9.85825835; eV
thumbnail.jpeg/Energies_to_plot_Pourbaix_diagram/Energy_of_gas_phase/ZPE H2OZhou, Yechengvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--14.22287685; eV
thumbnail.jpeg/Energies_to_plot_Pourbaix_diagram/Energies_of_metal_phase/Energies_of_Ni E_Ni_AFM_PBEZhou, Yechengvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--4.37547294; eV
thumbnail.jpeg/Energies_to_plot_Pourbaix_diagram/Energies_of_metal_phase/Energies_of_Ni E_NI_FM_PBEZhou, Yechengvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--4.93255384; eV
thumbnail.jpeg/Energies_to_plot_Pourbaix_diagram/Energies_of_metal_phase/Energies_of_Ni E_Ni_without_U-AFM_PBEZhou, Yechengvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--10.83105794; eV
thumbnail.jpeg/Energies_to_plot_Pourbaix_diagram/Energies_of_metal_phase/Energies_of_Ni E_Ni_without_U-FM_PBEZhou, Yechengvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--10.93507290; eV
thumbnail.jpeg/Energies_to_plot_Pourbaix_diagram/Energies_of_metal_phase/Energies_of_Ni AFM-PBEsolZhou, Yechengvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 03 2017 21:06:31) complexDFT--5.66605456; eV
thumbnail.jpeg/Energies_to_plot_Pourbaix_diagram/Energies_of_metal_phase/Energies_of_Ni FM-PBEsolZhou, Yechengvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 03 2017 21:06:31) complexDFT--6.07418599; eV
thumbnail.jpeg/Energies_to_plot_Pourbaix_diagram/Energies_of_metal_phase/Energies_of_Ni AFM-HSEZhou, Yechengvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 03 2017 21:06:31) complexDFT--
thumbnail.jpeg/Energies_to_plot_Pourbaix_diagram/Energies_of_metal_phase/Energies_of_Ni FM-HSEZhou, Yechengvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 03 2017 21:06:31) complexDFT--13.25486336; eV
thumbnail.jpeg/Energies_to_plot_Pourbaix_diagram/Energies_of_metal_phase/Energies_of_Fe FM-PBEZhou, Yechengvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 03 2017 21:06:31) complexDFT--11.41452215; eV
thumbnail.jpeg/Energies_to_plot_Pourbaix_diagram/Energies_of_metal_phase/Energies_of_Fe AFM-PBE_Zhou, Yechengvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 03 2017 21:06:31) complexDFT--10.64143808; eV
thumbnail.jpeg/Energies_to_plot_Pourbaix_diagram/Energies_of_metal_phase/Energies_of_Fe FM_HSEZhou, Yechengvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 03 2017 21:06:31) complexDFT--23.17402398; eV
thumbnail.jpeg/Energies_to_plot_Pourbaix_diagram/Energies_of_metal_phase/Energies_of_Fe AFM_HSEZhou, Yechengvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 03 2017 21:06:31) complexDFT--21.99994145; eV
thumbnail.jpeg/Energies_to_plot_Pourbaix_diagram/Undoped_bulk_pbe_hse/ni2o3 pbeoptZhou, Yechengvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 03 2017 21:06:31) complexDFT--95.89841850; eV
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