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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Jun-2024	/Transition_states/Zn/0001 2422-2322	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	4-Jul-2024	B4	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ GENECP	-4708.63933808; Eh
	25-Jun-2024	/Intermediates/Cu/100 C2H6O_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-215.29204880; eV
	25-Jun-2024	/Intermediates/Pd/100 C9H7N_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-354.78441331; eV
	25-Jun-2024	/Intermediates/Pd/100 C8H7N	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-345.82536518; eV
	25-Jun-2024	/Intermediates/Ag/100 H2N	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	16-Jan-2026	/FG_dataset/amidines/ag/111 ag-38Z4-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-199.26295863; eV
	16-Jan-2026	/FG_dataset/group3S/ag/111 ag-36S1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-178.95368303; eV
	5-Sep-2023	/Adsorptions/ZnZrOx HCOO-ZnZrOx	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-465.18514449; eV
	19-Mar-2026	/VMo V01Mo09O34-3H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-14.41830120; Eh

Results 55821-55830 of 104126 (Search time: 0.032 seconds).