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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/cd/0001 cd-4bN7-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-121.68831475; eV
	16-Jan-2026	/FG_dataset/group3N/cd/0001 cd-4bN6-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-121.91426971; eV
	16-Jan-2026	/FG_dataset/aromatics/au/111 au-55N1-b	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-222.50499586; eV
	16-Jan-2026	/FG_dataset/group3N/pt/111 pt-13N1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-311.37227512; eV
	16-Jan-2026	/FG_dataset/aromatics/au/111 au-5601-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-217.46787126; eV
	19-Mar-2026	/AsMoW As01Mo07W04O39-2H-iso-16130220	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.29736342; Eh
	19-Mar-2026	/AsMoW As01Mo03W08O39-3H-iso-29030976	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.54027754; Eh
	19-Mar-2026	/AsMoW As01Mo04W05O31-3H-iso-2220	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-12.61633416; Eh
	19-Mar-2026	/AsMoW As01Mo02W10O40-0H-iso-2	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.79275507; Eh
	16-Jan-2026	/FG_dataset/aromatics/au/111 au-8a01-b	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-260.94694658; eV

Results 83871-83880 of 104124 (Search time: 0.056 seconds).