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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg16-Jan-2026/FG_dataset/group3N/ru/0001 ru-4bN1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--510.00095463; eV
thumbnail.jpeg16-Jan-2026/FG_dataset/aromatics/pd/111 pd-4411-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--299.00889493; eV
Login required19-Mar-2026/AsMoW As01Mo03W08O39-1H-iso-29034600Buils, JordiADF; 2019; 304Geometry optimizationPBETZP-16.54077720; Eh
Login required2-Jul-2025/Bulk_structure/CuOH_2__1/phonopy/disp_030 disp_030Benzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexSingle pointDFT--37.41854913; eV
Login required2-Jul-2025/Bulk_structure/CuOH_2__1/phonopy/disp_017 disp_017Benzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexSingle pointDFT--37.42949701; eV
Login required2-Jul-2025/Bulk_structure/CuOH_2__1/phonopy/disp_016 disp_016Benzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexSingle pointDFT--37.41394231; eV
Login required2-Jul-2025/Bulk_structure/CuOH_2__1/phonopy/disp_027 disp_027Benzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexSingle pointDFT--37.41313507; eV
Login required2-Jul-2025/Bulk_structure/CuOH_2__1/phonopy/disp_026 disp_026Benzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexSingle pointDFT--37.41692911; eV
Login required2-Jul-2025/Bulk_structure/CuOH_2__1/phonopy/disp_015 disp_015Benzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexSingle pointDFT--37.41675673; eV
thumbnail.jpeg16-Jan-2026/FG_dataset/aromatics/pd/111 pd-55N1-bMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--314.51664700; eV
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