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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_KCoFe(CN)6_HSE03-13	Hegner, Franziska Simone	vasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-only	Geometry optimization	-	-	-550.29488143; eV
	12-Apr-2017	hsls_KCoFe(CN)6_HSE03-10	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Jan 20 2015 09:11:32) gamma-only	Geometry optimization	-	-	-530.66659322; eV
	12-Apr-2017	CoFe-PB+H2O_PBEsol_static	Hegner, Franziska Simone	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Single point	-	-	-486.60201398; eV
	12-Apr-2017	BiVO4_HSE03-13_gamma-point	Hegner, Franziska Simone	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Single point	-	-	-212.39589586; eV
	17-Oct-2017	/Adsorption/ni/4x4 phenol_dissociated	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-419.15659947; eV
	17-Oct-2017	/Adsorption/ni/7x4 B	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-698.06939772; eV
	17-Oct-2017	/Adsorption/ni/3x3/o h	Li, Qiang	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-202.42775910; eV
	12-Apr-2017	lsls_KCoFe(CN)6_HSE03-25	Hegner, Franziska Simone	vasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-only	Geometry optimization	-	-	-616.24580722; eV
	12-Apr-2017	lsls_KCoFe(CN)6_HSE03-15	Hegner, Franziska Simone	vasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-only	Geometry optimization	-	-	-561.18223347; eV
	12-Apr-2017	hsls_KCoFe(CN)6_HSE03-13	Hegner, Franziska Simone	vasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-only	Geometry optimization	-	-	-547.22420032; eV

Results 1931-1940 of 104079 (Search time: 0.004 seconds).