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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Apr-2017	Cs2-PW_PBEsol+U_dos	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Single point	-	-	-450.66722778; eV
	12-Apr-2017	Cs2-PW_HSE03_dos	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-only	Single point	-	-	-650.77108502; eV
	12-Apr-2017	f-Na2-PW_PBEsol+U_optimisation	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-451.19169965; eV
	12-Apr-2017	Fr2-PW_PBEsol+U_optimisation	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-452.95277471; eV
	12-Apr-2017	Na-PB_PBEsol+U_optimisation	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-437.41882582; eV
	12-Apr-2017	Rb-PB_PBEsol+U_optimisation	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-440.97552345; eV
	12-Apr-2017	Cs-PB_PBEsol+U_optimisation	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-440.82411589; eV
	12-Apr-2017	Fr2-PW_HSE03_optimisation	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-640.49122940; eV
	12-Apr-2017	Fr2-PW_PBEsol+U_dos	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Single point	-	-	-452.80903978; eV
	12-Apr-2017	Na-PB_PBEsol+U_dos	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Single point	-	-	-437.13909789; eV

Results 11-20 of 72 (Search time: 0.002 seconds).