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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Feb-2019	sa-RhRe-0111	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-350.21970421; eV
	12-Feb-2019	sa-CdRh-0111	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-52.98609225; eV
	12-Feb-2019	sa-CdAg-0111	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-48.62466763; eV
	28-Aug-2019	Split-vacancy-bulk_PBE0-10_pbesol+u-geo-2_single-point	Hegner, Franziska Simone	QuantumEspresso; 6.2; 13949:13950	Single point	PBE0	NORMCONS	-176283.726186; eV
	28-Aug-2019	Pristine-001-surface_PBE0-10_pbesol-geo_single-point	Hegner, Franziska Simone	QuantumEspresso; 6.2; 13949:13950	Single point	PBE0	NORMCONS	-132535.185629; eV
	28-Nov-2017	ol-IrRe-0011	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-456.71152394; eV
	21-Jun-2017	Ag-2021	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-154.98076846; eV
	12-Feb-2019	sa-RhPd-0111	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-342.53859359; eV
	12-Feb-2019	sa-RhAg-0111	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-339.77452606; eV
	12-Feb-2019	sa-CuRh-0111	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-185.43287678; eV

Results 35371-35380 of 103542 (Search time: 0.02 seconds).