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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	/AsMoW As01Mo04W07O39-2H-iso-2419698	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.48850665; Eh
	19-Mar-2026	/AsMoW As01Mo04W08O40-0H-iso-25647124	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.66920328; Eh
	19-Mar-2026	/AsMoW As01Mo04W05O31-0H-iso-204961	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-12.75620170; Eh
	19-Mar-2026	/AsMoW As01Mo02W03O19-1H-iso-3	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-7.80341089; Eh
	26-Feb-2025	/single_point_recalculations_Eel/T25 Mo07O31-14H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-
	26-Feb-2025	/single_point_recalculations_Eel/T25 Mo07O31-13H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-
	26-Feb-2025	/single_point_recalculations_Eel/T25 Mo08O26-0H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-
	16-Jan-2026	/FG_dataset/aromatics/au/111 au-8a02-b	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-260.96746273; eV
	16-Jan-2026	/FG_dataset/group3N/pt/111 pt-49N2-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-361.69026209; eV
	16-Jan-2026	/FG_dataset/group3N/pt/111 pt-49N3-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-361.34269097; eV

Results 82001-82010 of 104124 (Search time: 0.052 seconds).