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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Oct-2023	edge,_dir_Ag140_12_oxy_continum	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only	Geometry optimization	DFT	-	-414.53588935; eV
	24-Oct-2023	more_than_7_edge,_dir_Ag140_11oxy	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only	Geometry optimization	DFT	-	-408.64983828; eV
	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	1oxy,_dir_Ag140_GCN6_89	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-351.00523206; eV
	24-Oct-2023	1oxy,_dir_Ag140_GCN2_92_4_fold	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-351.63226992; eV
	24-Oct-2023	O2,_dir_Ag20_abs3	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only	Geometry optimization	DFT	-	-52.03964306; eV
	24-Oct-2023	edge,_dir_Ag140_42oxy_12edges	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only	Geometry optimization	DFT	-	-583.62211947; eV
	24-Oct-2023	edge,_dir_Ag140_18oxy_4edges	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only	Geometry optimization	DFT	-	-448.72147400; 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	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

Results 11-20 of 67 (Search time: 0.002 seconds).