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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Dec-2025	/Ga-models/Oxygen-vacancies/Ga@MO2-slabs/Ga@HfO2/Surface Ga@m-HfO₂-vac-s3	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-460.27810512; eV
	2-Dec-2025	/Oxygen-vacancies/In@MO2-slabs/In@ZrO2/Subsurface In@m-ZrO₂-vac-s3	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-433.28683269; eV
	2-Dec-2025	/Oxygen-vacancies/In@MO2-slabs/In@HfO2/Surface In@m-HfO₂-vac-s4	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-459.54975429; eV
	2-Dec-2025	/Ga-models/Slabs-Ga-incorporation/Surface/HfO2 Ga@m-HfO₂-surf-s2	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-467.08642976; eV
	2-Dec-2025	/Oxygen-vacancies/MO2-slabs/HfO2/Subsurface m-HfOₓ-vac-s7	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-470.10895916; eV
	2-Dec-2025	/Reaction-paths/Adsorbed-hydroxylated-species/Carbonates/In(OH)3-t-ZrO2/low-coverage In(OH)₃-t-ZrO₂-r06a06c_1	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-1901.41594653; eV
	2-Dec-2025	/Oxygen-vacancies/In(OH)3-MO2-slabs/In(OH)3-ZrO2/Adatom In(OH)₃-m-ZrO₂-vac-2x2-cell	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-1846.17292329; eV
	2-Dec-2025	/Oxygen-vacancies/In(OH)3-MO2-slabs/In(OH)3-ZrO2/Surface In(OH)₃-m-ZrO₂-vac-s1	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-481.54758941; eV
	2-Dec-2025	/Oxygen-vacancies/In(OH)3-MO2-slabs/In(OH)3-HfO2/Surface In(OH)₃-t-HfO₂-vac-s8	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-507.19235791; eV
	2-Dec-2025	/Ab-inito-thermodynamics/In(OH)3-t-ZrO2 InHₓOᵧ(OH)₃₋ₓ₋ᵧ-t-ZrO₂-10	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-1827.08697272; eV

Results 97601-97610 of 100175 (Search time: 0.068 seconds).