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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg7-Jun-2024/Li_ion_diffusion/2_sO1O1_P1 11Dietrich, FabianQuantumEspresso; 6.3Geometry optimizationSLA PW PBX PBCUltrasoft-94124.743483; eV
thumbnail.jpeg7-Jun-2024/Li_ion_diffusion/2_sO1O1_P1 12Dietrich, FabianQuantumEspresso; 6.3Geometry optimizationSLA PW PBX PBCUltrasoft-94124.883946; eV
thumbnail.jpeg7-Jun-2024/Li_ion_diffusion/2_sO1O1_P1 10Dietrich, FabianQuantumEspresso; 6.3Geometry optimizationSLA PW PBX PBCUltrasoft-94125.005306; eV
thumbnail.jpeg7-Jun-2024/Li_ion_diffusion/2_sO1O1_P1 13Dietrich, FabianQuantumEspresso; 6.3Geometry optimizationSLA PW PBX PBCUltrasoft-94124.568846; eV
thumbnail.jpeg7-Jun-2024/Li_ion_diffusion/2_sO1O1_P1 05Dietrich, FabianQuantumEspresso; 6.3Geometry optimizationSLA PW PBX PBCUltrasoft-94124.202575; eV
thumbnail.jpeg7-Jun-2024/Li_ion_diffusion/2_sO1O1_P1 07Dietrich, FabianQuantumEspresso; 6.3Geometry optimizationSLA PW PBX PBCUltrasoft-94125.266842; eV
thumbnail.jpeg7-Jun-2024/Li_ion_diffusion/2_sO1O1_P1 06Dietrich, FabianQuantumEspresso; 6.3Geometry optimizationSLA PW PBX PBCUltrasoft-94124.951832; eV
thumbnail.jpeg7-Jun-2024/Li_ion_diffusion/2_sO1C1_P1 01Dietrich, FabianQuantumEspresso; 6.3Geometry optimizationSLA PW PBX PBCUltrasoft-94124.248683; eV
thumbnail.jpeg7-Jun-2024/Li_ion_diffusion/2_sO1O1_P2 34Dietrich, FabianQuantumEspresso; 6.3Geometry optimizationSLA PW PBX PBCUltrasoft-94123.738146; eV
thumbnail.jpeg7-Jun-2024/Li_ion_diffusion/2_sO1O1_P1 32Dietrich, FabianQuantumEspresso; 6.3Geometry optimizationSLA PW PBX PBCUltrasoft-94125.412066; eV
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