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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-May-2016	/empty_capsules_single_point C90_AAAA	Serapian, Stefano	ADF; 2013; 01	Single point	DFT	TZP	-
	10-May-2016	/empty_capsules_single_point C70_SASA	Serapian, Stefano	ADF; 2013; 01	Single point	DFT	TZP	-
	15-Mar-2021	/water_oxidation_intermediates/001/pristine start	Nikačević, Pavle	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Frequencies	DFT	-	-1109.09431417; eV
	15-Mar-2021	/water_oxidation_intermediates/001/pristine 1	Nikačević, Pavle	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Frequencies	DFT	-	-1103.10837641; eV
	6-May-2019	CP-4Pd-i21	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1133.04579197; eV
	24-Jan-2020	/opt_freq/Ru/CH3Br bri	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-316.69191208; eV
	10-May-2016	/full_capsule_optimisations C60_AAAA	Serapian, Stefano	ADF; 2013; 01	Geometry optimization	DFT	TZP	-78.89625319; Eh
	10-May-2016	/free_fullerene_optimisations C84	Serapian, Stefano	ADF; 2013; 01	Geometry optimization	DFT	TZP	-27.33435061; Eh
	10-May-2016	/free_fullerene_optimisations C70	Serapian, Stefano	ADF; 2013; 01	Geometry optimization	DFT	TZP	-22.69349823; Eh
	10-May-2016	/free_fullerene_optimisations C78	Serapian, Stefano	ADF; 2013; 01	Geometry optimization	DFT	TZP	-25.31737605; Eh

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