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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Apr-2017	lsls-K2-PW_PBEsol+U_optimisation	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-453.01012636; eV
	12-Apr-2017	Na-PB_HSE03_optimisation	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-626.50149758; eV
	14-Sep-2016	O-t_13L_001	Capdevila, Marçal	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-1291.91867127; eV
	20-Jul-2017	/C2H2_to_C2H4 111_C2H3+H	Capdevila-Cortada, Marçal	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-1128.58769574; eV
	11-Apr-2017	/Ni3P2/opt H2	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-534.00808979; eV
	20-Jul-2017	/surfaces In2O3(111)_2xOvac4	Capdevila-Cortada, Marçal	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-1079.65524927; eV
	12-Apr-2017	f-Li2-PW_PBEsol+U_optimisation	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-457.24315097; eV
	12-Apr-2017	f-Li-PB_HSE03_optimisation	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-only	Geometry optimization	-	-	-625.65091212; eV
	1-Dec-2016	/gas oxalic	Li, Qiang	vasp; 5.3.2; 13Sep12 (build Oct 26 2012 12:42:58) complex	Geometry optimization	-	-	-52.64325581; eV
	1-Dec-2016	/intermediateds 23_c	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-668.41710326; eV

Results 1-10 of 10592 (Search time: 0.002 seconds).