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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Feb-2025/single_point_recalculations_Eel/T75 Mo01O04-0HJunkers, Laura S.ADF; 2019Single pointPBETZP-
thumbnail.jpeg26-Feb-2025/single_point_recalculations_Eel/T75 H4O2Junkers, Laura S.ADF; 2019Single pointPBETZP-
thumbnail.jpeg26-Feb-2025/single_point_recalculations_Eel/T75 H5O2Junkers, Laura S.ADF; 2019Single pointPBETZP-
thumbnail.jpeg26-Feb-2025/single_point_recalculations_Eel/T75 H3OJunkers, Laura S.ADF; 2019Single pointPBETZP-
thumbnail.jpeg26-Feb-2025/single_point_recalculations_Eel/T75 H2OJunkers, Laura S.ADF; 2019Single pointPBETZP-
thumbnail.jpeg16-Jan-2026/FG_dataset/aromatics/zn/0001 zn-5601-bMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--120.40228411; eV
thumbnail.jpeg12-Nov-2025/Tc2OCln-2H2O/Tc2OCl8_2H2O/Tc2OCl8_2H2O_seplet Tc2OCl8_sepletHosseini, FarzanehAMS; 2021.101; r94406Geometry optimizationPBE--88.599178; eV
Login required2-Jul-2025/Bulk_structure/CuWO4_2/CuWO4_110_surface_defects/W_rich_regions/W_concentration_series/100_percent_W 100_percent_WBenzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--45655.97484531; eV
Login required2-Jul-2025/Bulk_structure/CuWO4_2/CuWO4_110_surface_defects/W_rich_regions/W_concentration_series/75_percent_W 75_percent_WBenzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--44432.55625239; eV
Login required2-Jul-2025/Bulk_structure/CuWO4_2/CuWO4_110_surface_defects/W_rich_regions/W_concentration_series/50_percent_W 50_percent_WBenzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--43208.88324270; eV
Results 85721-85730 of 104079 (Search time: 0.052 seconds).