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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/carbamate_esters/au/111 au-25_2-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-209.95195235; eV
	16-Jan-2026	/FG_dataset/oximes/cu/111 cu-49Y2-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-255.35529708; eV
	16-Jan-2026	/FG_dataset/oximes/cu/111 cu-49Y1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-255.40494374; eV
	6-May-2025	zn-mecn_cyclam-1e_acetonitrile	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ CC-PVDZ GEN	-1635.65299419; Eh
	16-Jan-2026	/FG_dataset/carbamate_esters/au/111 au-49_5-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-243.06248551; eV
	16-Jan-2026	/FG_dataset/carbamate_esters/au/111 au-49_6-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-243.04877897; eV
	16-Jan-2026	/FG_dataset/oximes/ir/111 ir-37Y2-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-475.63709643; eV
	16-Jan-2026	/FG_dataset/oximes/ir/111 ir-37Y3-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-475.43490984; eV
	29-Apr-2025	/Ru(tda)_py2/anchoring 4H_O_neg_py	Nicaso, Marco	AMS; 2021.101; r94406	Geometry optimization	BP86	DZP; TZP	-1898.969867; eV
	29-Apr-2025	/Ru(tda)_py2/anchoring 2H_O_neg_py	Nicaso, Marco	AMS; 2021.101; r94406	Geometry optimization	BP86	DZP; TZP	-1899.162013; eV

Results 91061-91070 of 103529 (Search time: 0.055 seconds).