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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/CuOH_2_2/phonopy/disp_011 disp_011	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-121.36234285; eV
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/Cu3WO6/phonopy/disp_005 disp_005	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-10288.88965474; eV
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/H2WO4/phonopy/disp_010 disp_010	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-77009.83911929; eV
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/Cu2WO4/phonopy/disp_002 disp_002	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-5036.15921820; eV
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/Cu2O3/phonopy/disp_013 disp_013	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-145.09770196; eV
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/CuOH_4/phonopy/disp_023 disp_023	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-60.87577626; eV
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/CuO/phonopy/disp_004 disp_004	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-527.56591210; eV
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/H2O/phonopy/disp_014 disp_014	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-13.43419861; eV
	3-Jul-2025	TS(VI-S8)-NHC-M06	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	LANL2DZ 6-31G(D,P) GENECP	-2430.09999158; Eh

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