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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Oct-2017	/Adsorption/ni/3x3/slab slab	Li, Qiang	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-188.12461800; eV
	17-Oct-2017	/Adsorption/ni/3x3/o t	Li, Qiang	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-200.71471639; eV
	12-Apr-2017	BiVO4_HSE03-13_dense-Kpoint-mesh	Hegner, Franziska Simone	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Single point	-	-	-212.39589586; eV
	12-Apr-2017	BiVO4_PBEsol_static	Hegner, Franziska Simone	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Single point	-	-	-176.51532195; eV
	17-Oct-2017	/Adsorption/ni/4x4 phenol_methoyx	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-441.56462932; eV
	17-Oct-2017	/Adsorption/ni/7x4 G3	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-591.72942449; eV
	12-Apr-2017	CoFe-PB+H2O_PBEsol_optimisation	Hegner, Franziska Simone	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-486.76517749; 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
	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

Results 18361-18370 of 104512 (Search time: 0.012 seconds).