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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg7-Jun-2024/Li_ion_diffusion/2_sO3O3_P2 01Dietrich, FabianQuantumEspresso; 6.3Geometry optimizationSLA PW PBX PBCUltrasoft-94125.327645; eV
thumbnail.jpeg7-Jun-2024/Li_ion_diffusion/3_sO3C3_P1 01Dietrich, FabianQuantumEspresso; 6.3Geometry optimizationSLA PW PBX PBCUltrasoft-94502.087080; eV
thumbnail.jpeg7-Jun-2024/Li_ion_diffusion/3_sO3O3_P1 34Dietrich, FabianQuantumEspresso; 6.3Geometry optimizationSLA PW PBX PBCUltrasoft-94502.099692; eV
thumbnail.jpeg7-Jun-2024/Li_ion_diffusion/3_sO3O3_P1 01Dietrich, FabianQuantumEspresso; 6.3Geometry optimizationSLA PW PBX PBCUltrasoft-94502.694026; eV
thumbnail.jpeg7-Jun-2024/Li_ion_diffusion/3_sO3O3_P2 01Dietrich, FabianQuantumEspresso; 6.3Geometry optimizationSLA PW PBX PBCUltrasoft-94502.738441; eV
thumbnail.jpeg7-Jun-2024/Li_ion_diffusion/3_sO3O3_P2 34Dietrich, FabianQuantumEspresso; 6.3Geometry optimizationSLA PW PBX PBCUltrasoft-94502.299242; eV
thumbnail.jpeg7-Jun-2024/Li_ion_diffusion/3_sC3C3_P2 34Dietrich, FabianQuantumEspresso; 6.3Geometry optimizationSLA PW PBX PBCUltrasoft-94500.730833; eV
thumbnail.jpeg7-Jun-2024/Li_ion_diffusion/3_sC3C3_P1 01Dietrich, FabianQuantumEspresso; 6.3Geometry optimizationSLA PW PBX PBCUltrasoft-94500.626504; eV
thumbnail.jpeg7-Jun-2024/Li_ion_diffusion/3_sC3C3_P2 01Dietrich, FabianQuantumEspresso; 6.3Geometry optimizationSLA PW PBX PBCUltrasoft-94500.775019; eV
thumbnail.jpeg7-Jun-2024/Li_ion_diffusion/3_sC3C3_P1 34Dietrich, FabianQuantumEspresso; 6.3Geometry optimizationSLA PW PBX PBCUltrasoft-94500.344086; eV
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