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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Mar-2026	/AsMoW As01Mo06W06O40-0H-iso-19958648	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.54597475; Eh
	19-Mar-2026	/AsMoW As01Mo02W09O39-0H-iso-484	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.58525044; Eh
	2-Jul-2025	/Bulk_structure/CuWO4_2/CuWO4_110_surface_defects/W_rich_regions/3W_1Cu_cluster 3W_1Cu_cluster	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-44433.28470083; eV
	2-Jul-2025	/Bulk_structure/CuWO4_2/CuWO4_110_surface_defects/W_rich_regions/4W_sequence 4W_sequence	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-45656.31133210; eV
	2-Jul-2025	/Bulk_structure/CuWO4_2/surf/slab_001 slab_001	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-40762.79502955; eV
	2-Jul-2025	/Bulk_structure/CuWO4_2/band band	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-20390.30313641; eV
	26-Feb-2025	/single_point_recalculations_Eel/T25 Mo08O35-15H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-
	26-Feb-2025	/single_point_recalculations_Eel/T25 Mo09O37-15H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-
	26-Feb-2025	/single_point_recalculations_Eel/T25 Mo09O37-14H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-
	16-Jan-2026	/FG_dataset/aromatics/au/111 au-67N1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-239.72974614; eV

Results 85731-85740 of 104079 (Search time: 0.055 seconds).