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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-PdAu-0111	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-250.05618049; eV
	12-Feb-2019	sa-OsCu-0111	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-521.51386559; 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
	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
	12-Feb-2019	sa-OsCd-0111	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-518.93769798; eV
	12-Feb-2019	sa-CdIr-0111	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-53.82101034; eV
	28-Nov-2017	ss-PtFe-0111	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-326.80469395; eV

Results 33191-33200 of 104515 (Search time: 0.02 seconds).