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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	4-Jun-2019	H2_molecule	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-6.77022674; eV
	21-Jun-2019	/wB97X-D Int2_Ni_B2Cs	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	LanL2DZ; 6-311G**	-1446.30424594; Eh
	21-Jun-2019	/wB97X-D CsBCO3	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	LanL2DZ; 6-311G**	-695.086000714; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/III_CF3_Cpstar III_CF3_Cpstar	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1540.72203024; Eh
	25-Jun-2024	/Intermediates/Ni/110 HN	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	9-Jan-2026	/redCO2 Ag(111)-(3x3)-Clean	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-94.09098956; eV
	4-Jun-2019	CeO2_clean-surface	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-291.85831685; eV
	28-May-2019	/M1O4_0H M1O4_0H	Petrus, Enric	ADF; 2016	Geometry optimization	DFT	TZP	-
	28-May-2019	/M1O4_1H M1O4_1H	Petrus, Enric	ADF; 2016	Geometry optimization	DFT	TZP	-
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_182 disp_182	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.61272588; eV

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