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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/pd/111 pd-4823-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-321.20792495; eV
	8-Apr-2025	/Reactivity O5__sphere25-1-OCHCHCOH	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	19-Mar-2026	/PMo P02Mo05O23-2H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-9.52183505; Eh
	19-Mar-2026	/PMo P00Mo06O21-2H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-8.89914192; Eh
	19-Mar-2026	/PMo P01Mo09O31-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-12.59296662; Eh
	19-Mar-2026	/PMo P01Mo09O31-0H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-12.63768619; Eh
	19-Mar-2026	/PMo P00Mo03O10-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-4.16160486; Eh
	16-Jan-2026	/FG_dataset/group4/zn/0001 zn-1231-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-91.29219134; eV
	8-Apr-2025	/Reactivity O5__sphere25-2-clean	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/Cu3WO3_4/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	-	-9948.47861828; eV

Results 90221-90230 of 103529 (Search time: 0.055 seconds).