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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/aromatics2/cd/0001 cd-97N1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-151.58356381; eV
	16-Jan-2026	/FG_dataset/group3N/rh/111 rh-37N5-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-396.21777504; eV
	16-Jan-2026	/FG_dataset/aromatics2/cd/0001 cd-87N2-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-142.44261854; eV
	16-Jan-2026	/FG_dataset/group3N/rh/111 rh-37N4-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-395.95539294; eV
	19-Mar-2026	/AsMoW As01Mo07W05O40-2H-iso-16151113	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.35406702; Eh
	19-Mar-2026	/AsMoW As01Mo05W04O31-1H-iso-181449	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-12.65748959; Eh
	26-Nov-2025	/sulfate_proj/Cu/111/HSO4/lsolvf lsolvf	Panja, Suraj	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	Single point	DFT	-	-324.93071278; eV
	26-Nov-2025	/sulfate_proj/Cu/111/OH/B B	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	16-Jan-2026	/FG_dataset/aromatics2/ir/111 ir-97N2-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-525.22329335; eV
	19-Mar-2026	/AsMoW As01Mo03W08O39-1H-iso-31933458	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.54271392; Eh

Results 87341-87350 of 103542 (Search time: 0.109 seconds).