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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-May-2022	/AuPd-CuPd-NiAl AuPd(100)-p(3x3)-Pd-COCO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-314.00286489; eV
	28-May-2022	/AuPd-CuPd-NiAl Au3Pd(100)-p(3x3)-Au-CO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-274.52483234; eV
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S11 S11	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-983.937227898; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S20 S20_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1959.8369719; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/1u 1u_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-590.5639566; Eh
	20-Feb-2024	/CsSnX3/CsSnCl3/Cubic PBE-HSE06	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex	Single point	DFT	-	-20.81609302; eV
	28-May-2022	/AuPd-CuPd-NiAl Au3Pd(100)-p(3x3)-Au-CO-CH2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-289.75666323; eV
	28-May-2022	/AuPd-CuPd-NiAl AuPd(100)-p(3x3)-Au-CO-CH	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-308.46331694; eV
	28-May-2022	/AuPd-CuPd-NiAl Au3Pd(100)-p(3x3)-Au-COCH2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-290.36444055; eV
	28-May-2022	/AuPd-CuPd-NiAl Au3Pd(100)-p(3x3)-Au-COCO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-287.89347684; eV

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