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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S21 S21	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1959.54817671; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/TS_Cl_Cpstar_II_III/NBO TS_Cl_Cpstar_II_III_nbo	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1663.3218015; Eh
	4-Sep-2023	TSB1-4	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31G SDD GENECP*	-869.583937253; Eh
	19-Aug-2021	rol3-Ir-Cl2	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-1982.93485440; eV
	19-Aug-2021	epo2-Pd-Cl1	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2021.72777044; eV
	19-Aug-2021	111-Pd-ac	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-796.30436028; eV
	19-Aug-2021	rol3-Rh-Cl1	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-1978.46559742; eV
	19-Aug-2021	epo2-Ir-Cl0	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2019.39164155; eV
	26-Aug-2024	geom7_nox3_w5_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1352.635851; Eh
	25-Jun-2024	/Intermediates/Pd/110 HS_2	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-

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