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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Jul-2018	/Vacancy_alpha/Vacancy_alpha Vacancy_diffusion_in_alpha-Ni(OH)2	Elbaz, Yuval	vasp; 5.3.3; 18Dez12 (build Jan 06 2015 13:04:21) complex	Geometry optimization	PBE+U	-	-98.22908164; eV
	2-Jul-2018	/Interstitial_NiOH2 Interstitial_diffusion_in_NiOH2	Elbaz, Yuval	vasp; 5.4.1; 05Feb16 (build Jul 27 2017 14:58:18) complex	Geometry optimization	PBE+U	-	-200.63653600; eV
	2-Jul-2018	/Interstitial_NiOOH Interstitial_diffusion_in_NiOOH	Elbaz, Yuval	vasp; 5.3.3; 18Dez12 (build Sep 16 2013 14:52:01) complex	Geometry optimization	PBE+U	-	-241.85460017; eV
	2-Jul-2018	/Vacancy_NiOH2 Vacancy_diffusion_in_b-NiOH2	Elbaz, Yuval	vasp; 5.3.3; 18Dez12 (build Sep 16 2013 14:52:01) complex	Geometry optimization	PBE+U	-	-194.33978439; eV
	2-Jul-2018	/Vacancy_NiOOH Vacancy_diffusion_in_NiOOH	Elbaz, Yuval	vasp; 5.3.3; 18Dez12 (build Sep 16 2013 14:52:01) complex	Geometry optimization	PBE+U	-	-232.27688712; eV
	17-Sep-2018	3_Cl_uncappedO_ethyl_chloride_Hstrip_Final	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Geometry optimization	PBE+U	-	-1248.15218457; eV
	17-Sep-2018	3_Cl_uncappedO_ethyl_chloride_Hstrip_Initial	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Geometry optimization	PBE+U	-	-1247.77396714; eV
	17-Sep-2018	3b_Cl_Cl_ethyl_chloride_Hstrip_Final	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Geometry optimization	PBE+U	-	-1254.63833036; eV
	18-Sep-2018	EuOCl(102)_1x3x1	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Geometry optimization	PBE+U	-	-572.32574999; eV
	18-Sep-2018	EuOCl(101)_2x3x1	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Geometry optimization	PBE+U	-	-858.21432292; eV

Results 1-10 of 56 (Search time: 0.001 seconds).