Search        

Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required2-Dec-2025/Oxygen-vacancies/In(OH)3-MO2-slabs/In(OH)3-HfO2/Subsurface In(OH)₃-t-HfO₂-vac-s4Ritopecki, Milicavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexGeometry optimizationDFT--504.84498369; eV
Login required2-Dec-2025/Oxygen-vacancies/In(OH)3-MO2-slabs/In(OH)3-ZrO2/Surface In(OH)₃-m-ZrO₂-vac-s8Ritopecki, Milicavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexGeometry optimizationDFT--479.47769219; eV
Login required2-Dec-2025/Oxygen-vacancies/In@MO2-slabs/In@ZrO2/Surface In@t-ZrO₂-vac-s2Ritopecki, Milicavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--433.25197064; eV
Login required2-Dec-2025/Reaction-paths/Incorporated-In/In@m-HfO2 In@m-HfO₂-i04cRitopecki, Milicavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexGeometry optimizationDFT--497.92763782; eV
Login required2-Dec-2025/In-models/Slabs-In-incorporation/Surface/HfO2 In@m-HfO₂-surf-s4Ritopecki, Milicavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--466.39575482; eV
Login required2-Dec-2025/Reaction-paths/Adsorbed-hydroxylated-species/Hydroxyls/In(OH)3-m-HfO2/low-coverage In(OH)₃-m-HfO₂-r07a07b_1Ritopecki, Milicavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexGeometry optimizationDFT--1999.78705604; eV
Login required2-Dec-2025/Reaction-paths/Adsorbed-hydroxylated-species/Hydroxyls/In(OH)3-m-HfO2/low-coverage In(OH)₃-m-HfO₂-r07b08_2Ritopecki, Milicavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexGeometry optimizationDFT--1999.26298303; eV
Login required2-Dec-2025/Reaction-paths/Adsorbed-hydroxylated-species/Hydroxyls/In(OH)3-t-ZrO2/high-coverage In(OH)₃-t-ZrO₂-i09_8Ritopecki, Milicavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexGeometry optimizationDFT--1990.70068809; eV
Login required2-Dec-2025/Oxygen-vacancies/In(OH)3-MO2-slabs/In(OH)3-ZrO2/Adatom In(OH)₃-m-ZrO₂-vac-s2Ritopecki, Milicavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexGeometry optimizationDFT--483.17580912; eV
Login required2-Dec-2025/Oxygen-vacancies/In(OH)3-MO2-slabs/In(OH)3-HfO2/Surface In(OH)₃-t-HfO₂-vac-s6Ritopecki, Milicavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexGeometry optimizationDFT--505.40948754; eV
Results 95161-95170 of 95920 (Search time: 0.055 seconds).