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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Apr-2017	Fr-PB_PBEsol+U_optimisation	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-441.83831482; 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
	12-Apr-2017	Rb2-PW_PBEsol+U_dos	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Single point	-	-	-450.85563073; eV
	12-Apr-2017	Cs-PB_PBEsol+U_dos	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Single point	-	-	-440.66268624; eV
	12-Apr-2017	Fr-PB_PBEsol+U_dos	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Single point	-	-	-441.69169937; eV
	12-Apr-2017	f-Li-PB_HSE03_dos	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Single point	-	-	-625.60976555; eV
	12-Apr-2017	Na2-PW_PBEsol+U_optimisation	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-443.89448169; eV
	12-Apr-2017	Li-PB_HSE03_optimisation	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-only	Geometry optimization	-	-	-621.52867324; eV
	12-Apr-2017	K-PB_HSE03_optimisation	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-only	Geometry optimization	-	-	-627.46121397; 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

Results 8781-8790 of 103542 (Search time: 0.007 seconds).