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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/group3S/cu/111 cu-4aS6-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-249.80902197; eV
	16-Jan-2026	/FG_dataset/group3S/cu/111 cu-4aS4-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-249.78915625; eV
	16-Jan-2026	/FG_dataset/amidines/cu/111 cu-38Z6-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-245.44415083; eV
	16-Jan-2026	/FG_dataset/amidines/cu/111 cu-38Z4-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-244.83217606; eV
	16-Jan-2026	/FG_dataset/amidines/cu/111 cu-38Z5-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-245.59147066; eV
	19-Mar-2026	/Mo Mo07O23-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-
	19-Mar-2026	/Mo Mo03O10-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-
	26-Aug-2024	geom0_nox_w12_nodisp_HLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311G(D,P)	-1241.1956174; Eh
	26-Aug-2024	geom25_nox3_w6_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1429.0762783; Eh
	26-Aug-2024	geom51_w11_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-840.7880975; Eh

Results 76771-76780 of 104126 (Search time: 0.055 seconds).