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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/group4/zn/0001 zn-4822-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-133.95559100; eV
	8-Apr-2025	/Reactivity octa75-8-CO	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/H2O/phonopy/disp_018 disp_018	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-13.43655586; eV
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/H2O/phonopy/disp_017 disp_017	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-13.43661259; eV
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/H2/phonopy/disp_002 disp_002	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-6.56778699; eV
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/H2/phonopy/disp_001 disp_001	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-6.52789190; eV
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/H2O H2O	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Frequencies	DFT	-	-13.43450237; eV
	16-Jan-2026	/FG_dataset/carbamate_esters/cu/111 cu-49_3-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-264.27793771; eV
	16-Jan-2026	/FG_dataset/carbamate_esters/cu/111 cu-49_4-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-264.09188460; eV
	16-Jan-2026	/FG_dataset/carbamate_esters/cu/111 cu-49_5-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-263.79664664; eV

Results 90931-90940 of 103529 (Search time: 0.189 seconds).