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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/ir/111 ir-8a01-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-519.53471288; eV
	16-Jan-2026	/FG_dataset/aromatics/ir/111 ir-7801-b	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-502.88568465; eV
	2-Jul-2025	/Bulk_structure/INCAR_U U_5_0	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-20053.55720412; eV
	2-Jul-2025	/Bulk_structure/INCAR_U U_4_0	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-20053.55720412; eV
	2-Jul-2025	/Bulk_structure/CuWOx/O_vacc/7 7	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-91.33761909; eV
	2-Jul-2025	/Bulk_structure/CuWOx/O_vacc/8 8	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-85.09076259; eV
	2-Jul-2025	/Bulk_structure/CuWOx/O_vacc/6 6	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-84.95251520; eV
	6-Sep-2024	/B3LYP/Ta Ta01O5-3H	Buils, Jordi	ADF; 2019	Single point	B3LYP	TZP	-
	6-Sep-2024	/B3LYP/W W04O13-1H	Buils, Jordi	ADF; 2019	Single point	B3LYP	TZP	-
	16-Jul-2024	/M_Fe_N_din6_as/M_Fe_N_din6_as_c2_35/Zn_Fe_N_din6_as_c2_35 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-629.60790177; eV

Results 83801-83810 of 104124 (Search time: 0.054 seconds).