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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Oct-2017	/Adsorption/niru/7x4 G3_1	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-595.51025833; eV
	17-Oct-2017	/Adsorption/niru/7x4 G2_1	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-588.34715651; eV
	17-Oct-2017	/Adsorption/niru/7x4 G1_2	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-588.38175538; eV
	17-Oct-2017	/Adsorption/niru/7x4 B_1	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-701.14078814; eV
	28-Nov-2017	ol-RuIr-0011	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-428.60009697; eV
	17-Oct-2017	/Adsorption/niru/7x4 G5_1	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-602.68057482; eV
	17-Oct-2017	/Adsorption/niru/7x4 C_1	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-700.69509357; eV
	17-Oct-2017	/Adsorption/ru/3x3/o fcc	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-324.65534186; eV
	2-Aug-2018	MDsnap_trimer2_2020	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2221.76245833; eV
	17-Oct-2017	/Adsorption/niru/7x4 G3_2	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-595.23939213; eV

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