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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required2-Jul-2025/Bulk_structure/pourbaix_diagram/Cu3WO6/phonopy/disp_009 disp_009Benzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--10288.88137808; eV
Login required26-Nov-2025/sulfate_proj/Cu/100/adatom/adatom+CO+OH adatom+CO+OHPanja, Surajvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexGeometry optimizationDFT--
Login required19-Mar-2026/AsMoW As01Mo06W06O40-1H-iso-241315200Buils, JordiADF; 2019; 304Geometry optimizationPBETZP-16.48722094; Eh
Login required19-Mar-2026/AsMoW As01Mo06W06O40-0H-iso-19981513Buils, JordiADF; 2019; 304Geometry optimizationPBETZP-16.54534583; Eh
Login required19-Mar-2026/AsMoW As02Mo04W01O23-0H-iso-32Buils, JordiADF; 2019; 304Geometry optimizationPBETZP-9.27908722; Eh
Login required19-Mar-2026/AsMoW As01Mo04W01O19-0H-iso-33Buils, JordiADF; 2019; 304Geometry optimizationPBETZP-7.71465492; Eh
Login required2-Jul-2025/Bulk_structure/pourbaix_diagram/Cu3WO6/phonopy/disp_017 disp_017Benzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--10288.88990890; eV
Login required2-Jul-2025/Bulk_structure/pourbaix_diagram/Cu3WO6/phonopy/disp_018 disp_018Benzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--10288.89225592; eV
Login required2-Jul-2025/Bulk_structure/pourbaix_diagram/Cu3WO6/phonopy/disp_019 disp_019Benzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--10288.88665128; eV
Login required2-Jul-2025/Bulk_structure/pourbaix_diagram/Cu3WO6/phonopy/disp_020 disp_020Benzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--10288.89548004; eV
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