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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required2-Dec-2025/Zn-models/Oxygen-vacancies/Zn@MO₂/Zn@HfO₂/Subsurface Zn@m-HfO₂-vac-s1Ritopecki, Milicavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--457.98055973; eV
Login required2-Dec-2025/Ga-models/Oxygen-vacancies/Ga(OH)3-MO2-slabs/Ga(OH)3-HfO2/Subsurface Ga(OH)₃-m-HfO₂-vac-s7Ritopecki, Milicavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--508.01672668; eV
Login required2-Dec-2025/Ga-models/Oxygen-vacancies/Ga(OH)3-MO2-slabs/Ga(OH)3-HfO2/Subsurface Ga(OH)₃-m-HfO₂-vac-s8Ritopecki, Milicavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--507.89192255; eV
Login required2-Dec-2025/Ga-models/Oxygen-vacancies/Ga(OH)3-MO2-slabs/Ga(OH)3-HfO2/Adatom Ga(OH)₃-m-HfO₂-vac-s1Ritopecki, Milicavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--510.64006055; eV
Login required2-Dec-2025/Ga-models/Oxygen-vacancies/Ga(OH)3-MO2-slabs/Ga(OH)3-HfO2/Surface Ga(OH)₃-m-HfO₂-vac-s7Ritopecki, Milicavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--508.19997417; eV
Login required2-Dec-2025/Ga-models/Oxygen-vacancies/Ga(OH)3-MO2-slabs/Ga(OH)3-HfO2/Surface Ga(OH)₃-m-HfO₂-vac-s1Ritopecki, Milicavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--510.08932737; eV
Login required2-Dec-2025/Ga-models/Oxygen-vacancies/Ga(OH)3-MO2-slabs/Ga(OH)3-HfO2/Surface Ga(OH)₃-m-HfO₂-vac-s6Ritopecki, Milicavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--508.24149395; eV
Login required2-Dec-2025/Ga-models/Oxygen-vacancies/Ga(OH)3-MO2-slabs/Ga(OH)3-HfO2/Surface Ga(OH)₃-m-HfO₂-vac-s5Ritopecki, Milicavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--507.79059500; eV
Login required2-Dec-2025/Ga-models/Oxygen-vacancies/Ga@MO2-slabs/Ga@HfO2/Surface Ga@m-HfO₂-vac-s1Ritopecki, Milicavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--460.59473216; eV
Login required2-Dec-2025/Zn-models/Oxygen-vacancies/Zn@MO₂/Zn@HfO₂/Subsurface Zn@m-HfO₂-vac-s2Ritopecki, Milicavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--457.65166445; eV
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