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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Aug-2024	geom125_nox_w6_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-782.0854132; Eh
	26-Aug-2024	geom125_nox_w7_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-858.529356; Eh
	26-Aug-2024	geom71_nox_w6_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-782.0893596; Eh
	26-Aug-2024	geom71_nox_w5_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-705.6422504; Eh
	26-Aug-2024	geom1_nox_w4_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-629.2141445; Eh
	25-Jun-2024	/Intermediates/Cu/111 C_2	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	5-Feb-2024	/Cu-ZnZrOx/Cu₂-Zn₆ZrOx-configurations Cu₂-Zn₆ZrOx-conf5	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1699.87972814; eV
	5-Feb-2024	/Cu-ZnZrOx/Cu₂-Zn₄ZrOx-configurations Cu₂-Zn₄ZrOx-conf1	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1740.57052968; eV
	2-May-2023	/In₂O₃-rearrangment/In₂O₃-Pd In₂O₃-Pd-0vac	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-710.58814339; eV
	2-May-2023	/In₂O₃-rearrangment/In₂O₃-Pd In₂O₃-Pd-23vac	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-557.54869493; eV

Results 49941-49950 of 104124 (Search time: 0.03 seconds).