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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-PdCo-0111	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-253.27667116; eV
	12-Feb-2019	sa-PdCd-0111	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-248.64605343; eV
	12-Feb-2019	sa-CuPt-0111	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-184.84444382; eV
	28-Aug-2019	Localised-vacancy-2_001-surface_PBE0-10_pbesol+u-geo_single-poin	Hegner, Franziska Simone	QuantumEspresso; 6.2; 13949:13950	Single point	PBE0	NORMCONS	-132098.583221; eV
	28-Aug-2019	Localised-vacancy-3_001-surface_PBE0-10_pbesol+u-geo_single-poin	Hegner, Franziska Simone	QuantumEspresso; 6.2	Single point	PBE0	NORMCONS	-132098.268363; eV
	28-Aug-2019	Localised-vacancy-1_001-surface_PBE0-10_pbesol+u-geo_single-poin	Hegner, Franziska Simone	QuantumEspresso; 6.2	Single point	PBE0	NORMCONS	-132098.333962; eV
	28-Nov-2017	ol-AgAu-2215	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	-	-	-163.65395615; eV
	21-Jun-2017	Cd-1121	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-63.01878490; eV
	21-Jun-2017	Au-1311	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-176.64564818; eV
	21-Jun-2017	Au-0211	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-165.19440921; eV

Results 18411-18420 of 103928 (Search time: 0.011 seconds).