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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Mar-2026	/AsMoW As01Mo07W04O39-0H-iso-15984432	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.28013311; Eh
	19-Mar-2026	/AsMoW As01Mo02W01O13-2H-iso-0	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-5.23189855; Eh
	26-Aug-2024	geom87_nox2_w10_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1411.3357308; Eh
	16-Jan-2026	/FG_dataset/group3N/cu/111 cu-39N4-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-240.69834745; eV
	16-Jan-2026	/FG_dataset/aromatics/cu/111 cu-5601-b	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-238.29804122; eV
	16-Jan-2026	/FG_dataset/aromatics/cu/111 cu-6601-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-247.93280671; eV
	23-Jul-2025	/Ti(0001)/CxHyO/Methoxymethane config_1	Van Hout, Thomas	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-408.68393115; eV
	19-Mar-2026	/AsMoW As01Mo08W04O40-0H-iso-11986800	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.42241898; Eh
	19-Mar-2026	/AsMoW As01Mo06W06O40-1H-iso-239662080	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.48669812; Eh
	19-Mar-2026	/AsMoW As01Mo02W09O39-2H-iso-3604	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.60773165; Eh

Results 78541-78550 of 104126 (Search time: 0.046 seconds).