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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Jul-2025	of_1-Cu2Cl4-i_20250715193856	Brandon, Laurence	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	-	-5744.55321914958131; Eh
	16-Jan-2026	/FG_dataset/amides/ag/111 ag-37X2-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-194.52348700; eV
	16-Jan-2026	/FG_dataset/group2/pt/111 pt-3813-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-347.05955481; eV
	16-Jan-2026	/FG_dataset/group2/pt/111 pt-3812-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-346.88628268; eV
	20-May-2025	TStm_m062x_gas	Arranz, Isabel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	GENECP	-3736.5540026; Eh
	20-May-2025	TStm_m06hf_gas	Arranz, Isabel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06HF	GENECP	-3736.6193451; Eh
	20-May-2025	TStm_m06_gas	Arranz, Isabel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	GENECP	-3736.5633598; Eh
	16-Jan-2026	/FG_dataset/amides/ag/111 ag-49X6-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-211.00914942; eV
	16-Jan-2026	/FG_dataset/amides/ag/111 ag-49X4-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-211.19160390; eV
	16-Jan-2026	/FG_dataset/amides/ag/111 ag-49X5-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-210.55428520; eV

Results 99271-99280 of 103542 (Search time: 0.062 seconds).