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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/amidines/os/0001 os-4aZ1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-610.36968110; eV
	16-Jan-2026	/FG_dataset/amides/os/0001 os-49X7-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-604.57278564; eV
	16-Jan-2026	/FG_dataset/amides/os/0001 os-49X6-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-605.14227271; eV
	16-Jan-2026	/BM_dataset/plastics/gas PPst	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-256.61073717; eV
	14-Jun-2024	/Confined_domains Cu100_0_33ML-CO_B-1	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	14-Jun-2024	/Confined_domains Cu100_0_33ML-CO_L	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	19-Mar-2026	/PW P01W02O11-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-4.78993210; Eh
	19-Mar-2026	/VMo V00Mo03O10-0H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-4.19077605; Eh
	26-Mar-2024	L1A5endo	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G SDD GENECP*	-1747.81721617; Eh
	26-Mar-2024	L1A5exo	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G SDD GENECP*	-1747.82371529; Eh

Results 54161-54170 of 104126 (Search time: 0.033 seconds).