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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Sep-2024	/BP86/Ta Ta05O16-0H	Buils, Jordi	ADF; 2019	Single point	BP86	TZP	-
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/TSCH_4 TSCH_4_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1007.3757035; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/AcOH AcOH_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-229.0957745; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/AgCl AgCl_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-606.0414726; Eh
	4-Aug-2022	/Sampling Pt-2O-bulkvac-4ce3-pos_29_30_33_34-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-849.51634831; eV
	4-Aug-2022	/Sampling Pt-2O-bulkvac-4ce3-pos_29_30_33_36-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-849.27046454; eV
	4-Aug-2022	/Sampling Pt-2O-bulkvac-4ce3-pos_29_30_32_36-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-849.24531002; eV
	4-Aug-2022	/Sampling Pt-2O-bulkvac-4ce3-pos_29_30_32_35-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-849.22779475; eV
	4-Aug-2022	/Sampling Pt-2O-bulkvac-4ce3-pos_29_30_33_35-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-849.24984983; eV
	4-Aug-2022	/Sampling Pt-2O-bulkvac-4ce3-pos_29_31_33_35-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-849.49115444; eV

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