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Browsing by Author Elbaz, Yuval

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Showing results 1 to 5 of 5

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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_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	/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

Showing results 1 to 5 of 5