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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Aug-2021	111-Ru-ac	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1321.68020577; eV
	19-Aug-2021	111-Au-clean	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-511.29202645; eV
	11-Feb-2022	/Pathway_c5c4_cat Int2C-k2	Villar-Yanez, Alba	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-4796.27227896; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S16 S16	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1301.20511591; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/2f 2f	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-320.863424213; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/1a 1a	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GENECP	-475.921462222; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S26 S26_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1885.3508277; Eh
	11-Feb-2022	/Profiles/Pd-In2O3 Pd-In₂O₃-r0709	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Feb 19 2018 15:56:53) complex	Geometry optimization	DFT	-	-1099.27245574; eV
	11-Feb-2022	/Profiles/Au-In2O3 Au-In₂O₃-r0203	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Feb 19 2018 15:56:53) complex	Geometry optimization	DFT	-	-1104.39604068; eV
	20-Feb-2024	/FASnX3/FASnBr3/Cubic PBEsol-SOC	Echeverria, Carlos	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complex	N/A	DFT	-	-59.70635036; eV

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