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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Apr-2017	f-Li-PB_PBEsol+U_optimisation	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-442.10314117; eV
	12-Apr-2017	Cs2-PW_PBEsol+U_optimisation	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-450.64561981; eV
	12-Apr-2017	Cs2-PW_HSE03_optimisation	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-650.77556931; eV
	12-Apr-2017	Rb2-PW_HSE03_optimisation	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-646.07689993; eV
	12-Apr-2017	f-Li-PB_PBEsol+U_dos	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Single point	-	-	-441.92987934; eV
	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	Li-PB_PBEsol+U_dos	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Single point	-	-	-437.80291658; 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	Fr2-PW_HSE03_dos	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-only	Single point	-	-	-640.55111733; 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

Results 8761-8770 of 103542 (Search time: 0.007 seconds).