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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/cu/111 cu-38Z7-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-245.20945983; eV
	16-Jan-2026	/FG_dataset/amidines/cu/111 cu-38Z8-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-245.51178857; eV
	16-Jan-2026	/FG_dataset/group3S/os/0001 os-12S1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-541.13923722; eV
	16-Jan-2026	/FG_dataset/group3S/os/0001 os-14S1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-547.62213448; eV
	19-Mar-2026	/Mo Mo03O14-7H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-6.31840171; Eh
	19-Mar-2026	/Mo Mo07O24-2H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-
	26-Aug-2024	geom25_nox2_w7_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1182.0223091; Eh
	26-Aug-2024	geom0_nox_w12_HLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311G(D,P)	-1241.2690963; Eh
	26-Aug-2024	geom25_nox2_w8_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1258.4658492; Eh
	26-Aug-2024	geom155_nox_w8_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-934.9689925; Eh

Results 76781-76790 of 104126 (Search time: 0.049 seconds).