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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Oct-2023	7oxy,_dir_Ag140_70xy_facet_centered	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-385.41119182; eV
	24-Oct-2023	7oxy,_dir_Ag140_70xy_most_stable	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-385.82544013; eV
	24-Oct-2023	7oxy,_dir_Ag140_70xy_edge	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-385.68228784; eV
	24-Oct-2023	6oxy,_dir_Ag140_6oxy_4fold	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-380.12314115; eV
	24-Oct-2023	dir_Ag140_6oxy_3fold_edges,_analysis	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only	Single point	DFT	-	-379.01602258; eV
	24-Oct-2023	dir_Ag140_6oxy_4fold,_pDOS	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only	Single point	DFT	-	-380.12313964; eV
	24-Oct-2023	dir_Ag140_6oxy_4fold,_bader	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only	Single point	DFT	-	-380.12313964; eV
	24-Oct-2023	o_2oxy,_dir_Ag20_2oxy_oppositefacets	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only	Geometry optimization	DFT	-	-53.15686078; eV
	24-Oct-2023	o_2oxy,_dir_Ag20_2oxy_Samefacets	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only	Geometry optimization	DFT	-	-53.02334139; eV
	24-Oct-2023	o_2oxy,_dir_Ag20_2oxy_prova1	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only	Geometry optimization	DFT	-	-52.91088956; eV

Results 1-10 of 67 (Search time: 0.001 seconds).