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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-CdRe-0111	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-56.04992873; eV
	12-Feb-2019	sa-CuOs-0111	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-187.91663329; eV
	12-Feb-2019	sa-PdZn-0111	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-249.18254525; eV
	28-Aug-2019	Split-vacancy_001-surface_PBE0-10_pbesol-geo_single-point	Hegner, Franziska Simone	QuantumEspresso; 6.2; 13949:13950	Single point	PBE0	NORMCONS	-132099.501487; eV
	28-Aug-2019	Pristine-001-surface_PBE0-10_pbesol+u+geo_single-point	Hegner, Franziska Simone	QuantumEspresso; 6.2; 13949:13950	Single point	PBE0	NORMCONS	-132535.167411; eV
	28-Aug-2019	Localised-vacancy-5_001-surface_PBE0-10_pbesol-geo_single-point	Hegner, Franziska Simone	QuantumEspresso; 6.2	Single point	PBE0	NORMCONS	-132097.896936; eV
	28-Nov-2017	ss-RhCo-2215	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-363.42406687; eV
	21-Jun-2017	Ag-2312	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-160.74017252; eV
	21-Jun-2017	Ag-2401	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-156.46227397; eV

Results 33181-33190 of 104515 (Search time: 0.02 seconds).