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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Sep-2025	/Optimizations/PBE_D3_U/Ovac_surface_pristine-like na-o-sio2	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-919.30189191; eV
	29-Sep-2025	/Optimizations/PBE_D3_U/Ovac_surface_pristine-like na-o-geo2	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-767.75746701; eV
	29-Sep-2025	/Optimizations/PBE_D3_U/Ovac_surface_pristine-like na-o-ruo2	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-893.82113717; eV
	29-Sep-2025	/Optimizations/PBE_D3_U/Ovac_surface_pristine-like na-o-in2o3	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-1114.17447345; eV
	29-Sep-2025	/Optimizations/PBE_D3_U/Ovac_surface_pristine-like na-o-zro2	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-1209.63582550; eV
	29-Sep-2025	/Single-points/PBE-111kp/Ovac_subsurface na-m-bao	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:25:58) gamma-only	Single point	DFT	-	-367.20652752; eV
	20-Jun-2025	/Mn_proj/Molecules/MnO4_2/phonopy/disp_010 disp_010	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-38.20073656; eV
	20-Jun-2025	/Mn_proj/Molecules/MnO4_2/phonopy/disp_041 disp_041	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-38.19689309; eV
	20-Jun-2025	/Mn_proj/Molecules/MnO4_2/phonopy/disp_028 disp_028	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-38.19684886; eV
	20-Jun-2025	/Mn_proj/Molecules/MnO4_2/phonopy/disp_040 disp_040	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-38.20316782; eV

Results 98831-98840 of 103542 (Search time: 0.066 seconds).