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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Jan-2026	/FG_dataset/aromatics/au/111 au-66S1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-231.44986521; eV
	16-Jan-2026	/FG_dataset/aromatics/au/111 au-6611-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-234.14127340; eV
	16-Jan-2026	/FG_dataset/aromatics/au/111 au-6611-b	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-234.16463684; eV
	16-Jan-2026	/FG_dataset/aromatics/au/111 au-6601-b	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-227.38057250; eV
	2-Jul-2025	/Bulk_structure/CuWO4_2/CuWO4_110_surface_defects/W_rich_regions/W_concentration_series/25_percent_W 25_percent_W	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-41984.73784170; eV
	2-Jul-2025	/Bulk_structure/CuWO4_2/CuWO4_110_surface_defects/Cu_rich_regions/3Cu_1W_cluster 3Cu_1W_cluster	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-37051.09673014; eV
	26-Feb-2025	/single_point_recalculations_Eel/T25 Mo07O31-12H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-
	26-Feb-2025	/single_point_recalculations_Eel/T25 Mo07O24-2H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-
	26-Feb-2025	/single_point_recalculations_Eel/T25 Mo07O24-1H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-
	26-Feb-2025	/single_point_recalculations_Eel/T25 Mo07O24-0H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-

Results 83261-83270 of 104124 (Search time: 0.051 seconds).