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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-May-2019	/FePO4 9_EeOC_Ofc-Hstrip_TS	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Frequencies	DFT	-	-1252.73282597; eV
	12-Jun-2017	Facet-Pt364_HCl119	Almora, Neyvis	vasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-only	Geometry optimization	-	-	-2685.97033515; eV
	12-Jun-2017	Pt311_1HCl4Ptsurf	Almora, Neyvis	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-117.03657921; eV
	12-Jun-2017	Pt311_3HCl4Ptsurf	Almora, Neyvis	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-127.57978053; eV
	12-Jun-2017	Corner-Pt364_HCl119	Almora, Neyvis	vasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-only	Geometry optimization	-	-	-2682.35092078; eV
	12-Jun-2017	Pt110_1HCl4Ptsurf	Almora, Neyvis	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-228.31852514; eV
	12-Jun-2017	Pt311_2HCl6Ptsurf	Almora, Neyvis	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-162.10746046; eV
	12-Jun-2017	Pt411_10HCl20Ptsurf	Almora, Neyvis	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Single point	-	-	-805.16476521; eV
	12-Jun-2017	Pt211_1HCl3Ptsurf	Almora, Neyvis	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Single point	-	-	-118.60490238; eV
	12-Jun-2017	Pt110_8HCl12Ptsurf	Almora, Neyvis	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-718.23040870; eV

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