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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 Ta16O49-7H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-23.43534686; Eh
	19-Mar-2026	/Ta Ta05O16-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-7.60007199; Eh
	19-Mar-2026	/Ta Ta04O13-0H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-6.13509241; Eh
	19-Mar-2026	/Ta Ta09O27-0H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-12.79179678; Eh
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/Cu2WO4/phonopy/disp_065 disp_065	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-5036.16464755; eV
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/Cu2WO4/phonopy/disp_064 disp_064	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-5036.16521451; eV
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/CuOH_2/phonopy/disp_019 disp_019	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-121.36236337; eV
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/CuOH_2/phonopy/disp_020 disp_020	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-121.36330839; eV
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/Cu2WO4 Cu2WO4	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-5048.13038380; eV
	16-Jan-2026	/FG_dataset/aromatics2/gas 97N1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-115.13493741; eV

Results 89421-89430 of 103542 (Search time: 0.049 seconds).