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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/group3N/ru/0001 ru-49Na-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-501.70589991; eV
	6-Sep-2024	/B3LYP/Mo Mo07O31-14H	Buils, Jordi	ADF; 2019	Single point	B3LYP	TZP	-
	16-Jan-2026	/FG_dataset/group3N/ru/0001 ru-4bN5-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-509.52771503; eV
	16-Jan-2026	/FG_dataset/aromatics/pd/111 pd-4411-b	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-299.31698623; eV
	19-Mar-2026	/AsMoW As01Mo04W07O39-1H-iso-2419276	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.47435776; Eh
	19-Mar-2026	/AsMoW As01Mo02W07O31-0H-iso-34560	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-12.86928430; Eh
	19-Mar-2026	/AsMoW As01Mo04W01O19-2H-iso-33	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-7.64801282; Eh
	2-Jul-2025	/Bulk_structure/CuOH_2__1/phonopy/disp_025 disp_025	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-37.41761378; eV
	2-Jul-2025	/Bulk_structure/CuOH_2__1/phonopy/disp_024 disp_024	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-37.41422848; eV
	2-Jul-2025	/Bulk_structure/CuOH_2__1/phonopy/disp_002 disp_002	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-37.41722048; eV

Results 82581-82590 of 104124 (Search time: 0.051 seconds).