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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Sep-2025	/Optimizations/PBE_D3_U/Pristine co2-a-tio2	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1186.64454194; eV
	29-Sep-2025	/Optimizations/PBE_D3_U/Pristine co2-in2o3	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1141.86803908; eV
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/Cu2WO4/phonopy/disp_001 disp_001	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-5036.16090711; 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/Cu2WO4/phonopy/disp_003 disp_003	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-5036.16270919; eV
	8-Apr-2025	/Reactivity O5__sphere75-1-OCHCH	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	29-Sep-2025	/Optimizations/PBE_D3_U/Pristine co2-t-zro2	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1486.49353519; eV
	19-Mar-2026	/Ta Ta24O72-10H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-34.38547138; Eh
	29-Sep-2025	/Optimizations/PBE_D3_U/Pristine co2-ceo2	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-317.34291602; eV
	29-Sep-2025	/Optimizations/PBE_D3_U/Pristine so2-cao	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-429.60126266; eV

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