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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Aug-2024	geom69_nox_w5_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-705.6489793; Eh
	26-Aug-2024	geom33_w4_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-3678.7991159; Eh
	26-Aug-2024	geom33_w6_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-458.5886514; Eh
	5-Feb-2024	/Cu-ZnZrOx/Cu₂-Zn₃ZrOx-configurations Cu₂-Zn₃ZrOx-conf3	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1761.39076880; eV
	16-Jan-2026	/FG_dataset/amidines/cd/0001 cd-4aZ9-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-126.37192172; eV
	16-Jan-2026	/FG_dataset/amides/gas 49X6	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-85.18458992; eV
	19-Mar-2026	/VMo V00Mo02O08-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-3.47339964; Eh
	5-Feb-2024	/Cu-ZnZrOx/Cu₃-Zn₅ZrOx Cu₃-Zn₅ZrOx-conf1	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1722.86359917; eV
	5-Feb-2024	/Cu-ZnZrOx/Cu₃-Zn₅ZrOx Cu₃-Zn₅ZrOx-conf6	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1722.21494577; eV
	5-Feb-2024	/Cu-ZnZrOx/Cu₄-Zn₅ZrOx Cu₄-Zn₅ZrOx-conf3	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1725.90703325; eV

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