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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	/Ta Ta16O49-8H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-23.44503041; Eh
	19-Mar-2026	/Ta Ta06O19-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-9.06970353; Eh
	19-Mar-2026	/Ta Ta03O10-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-4.72458468; Eh
	19-Mar-2026	/Ta Ta10O28-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-13.27735671; Eh
	19-Mar-2026	/Ta Ta02O7-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-3.31690361; Eh
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/Cu2WO4/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	-	-5036.15701309; eV
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/Cu2WO4/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	-	-5036.15771346; eV
	26-Nov-2025	/sulfate_proj/Cu/phonopy_simulation/c2/CHCO/phonopy/009 009	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-
	26-Nov-2024	/fe_n4c0_o2/fe_n4c0_fs/fe_n4c0_fs_N2/dos dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-661.18295374; eV
	26-Nov-2024	/fe_n4c0_o2/fe_n4c0_fs/fe_n4c0_fs_N2/sc sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-661.10687561; eV

Results 89431-89440 of 103542 (Search time: 0.046 seconds).