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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/rh/111 rh-4bN1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-420.69670391; eV
	16-Jan-2026	/FG_dataset/aromatics2/ni/111 ni-a801-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-373.43905938; eV
	16-Jan-2026	/FG_dataset/aromatics2/ni/111 ni-9802-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-363.61069354; eV
	19-Mar-2026	/AsMoW As01Mo07W05O40-1H-iso-15982140	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.42204919; Eh
	19-Mar-2026	/AsMoW As01Mo07W05O40-0H-iso-16130596	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.48396176; Eh
	19-Mar-2026	/AsMoW As01Mo04W05O34-3H-iso-249	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-14.44943946; Eh
	19-Mar-2026	/AsMoW As01Mo03W06O31-0H-iso-436	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-12.81403134; Eh
	19-Mar-2026	/AsMoW As01Mo02W01O13-1H-iso-2	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-5.24198071; Eh
	26-Nov-2025	/sulfate_proj/Cu/100/SO4/TTB/lsolvf lsolvf	Panja, Suraj	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	Single point	DFT	-	-352.86419584; eV
	16-Jan-2026	/FG_dataset/aromatics2/os/0001 os-9801-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-631.82405575; eV

Results 86691-86700 of 103569 (Search time: 0.062 seconds).