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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Aug-2024	geom11_LLT_w5	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-382.1508584; Eh
	5-Sep-2023	/Cu-ZnZrOx/Cu2-Zn5ZrOx-configurations Cu₂-Zn₅ZrOx-conf4	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1719.48500389; eV
	5-Sep-2023	/Cu-ZnZrOx/Cu2-Zn5ZrOx-configurations Cu₂-Zn₅ZrOx-conf3	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1719.49614130; eV
	16-Jan-2026	/FG_dataset/amidines/ag/111 ag-38Z8-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-199.22614147; eV
	16-Jan-2026	/FG_dataset/group3S/ag/111 ag-48S1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-195.60280126; eV
	16-Jan-2026	/FG_dataset/group3S/ag/111 ag-38S3-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-186.84323358; eV
	19-Mar-2026	/VMo V01Mo09O31-2H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-12.67408212; Eh
	19-Mar-2026	/VMo V01Mo06O22-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-9.13447623; Eh
	25-Jun-2024	/Intermediates/Os/0001 C2HO_2	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	5-Sep-2023	/Cu-ZnZrOx/Cu2-Zn5ZrOx-configurations Cu₂-Zn₅ZrOx-conf6	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1721.01880522; eV

Results 55931-55940 of 104126 (Search time: 0.038 seconds).