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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Dec-2025/In-models/Slabs-In-incorporation/Subsurface/ZrO2 In@m-ZrO₂-subsurf-s3Ritopecki, Milicavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexGeometry optimizationDFT--440.68955503; eV
thumbnail.jpeg2-Dec-2025/In-models/Slabs-In-incorporation/Subsurface/ZrO2 In@t-ZrO₂-subsurf-s1Ritopecki, Milicavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexGeometry optimizationDFT--439.28029682; eV
thumbnail.jpeg2-Dec-2025/In-models/Slabs-In-incorporation/Subsurface/ZrO2 In@m-ZrO₂-subsurf-s1Ritopecki, Milicavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexGeometry optimizationDFT--440.79251406; eV
thumbnail.jpeg2-Dec-2025/In-models/Slabs-In-incorporation/Subsurface/ZrO2 In@t-ZrO₂-subsurf-s2Ritopecki, Milicavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexGeometry optimizationDFT--439.25422250; eV
thumbnail.jpeg2-Dec-2025/In-models/Slabs-In-incorporation/Subsurface/ZrO2 In@m-ZrO₂-subsurf-s2Ritopecki, Milicavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexGeometry optimizationDFT--440.63988493; eV
thumbnail.jpeg2-Dec-2025/In-models/Slabs-In-adatom-adsorption/HfO2 In-m-HfO₂-s7Ritopecki, Milicavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--482.46956492; eV
thumbnail.jpeg2-Dec-2025/In-models/Slabs-In-adatom-adsorption/HfO2 In-m-HfO₂-s6Ritopecki, Milicavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--482.48461043; eV
thumbnail.jpeg2-Dec-2025/Oxygen-vacancies/MO2-bulks/HfO2 m-HfO₂-vac-bulk-s2Ritopecki, Milicavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexGeometry optimizationDFT--965.11438352; eV
thumbnail.jpeg2-Dec-2025/In-models/Slabs-In-adatom-adsorption/HfO2 In-m-HfO₂-s3Ritopecki, Milicavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--482.77594218; eV
thumbnail.jpeg2-Dec-2025/In-models/Slabs-In-adatom-adsorption/ZrO2 In-m-ZrO₂-s4Ritopecki, Milicavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--455.37356379; eV
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