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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Oct-2023	9oxy_up,_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	9oxy,_dir_Ag140_9oxy_up	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only	Geometry optimization	DFT	-	-397.41844758; eV
	24-Oct-2023	7oxy,_dir_Ag140_70xy_near	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-385.12038589; 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
	24-Oct-2023	4oxy,_dir_Ag140_4oxy_4fold_comb2	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-369.09272094; eV
	24-Oct-2023	3oxy,_dir_Ag140_3oxy_4fold_close	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-363.52908468; eV
	24-Oct-2023	1oxy,_dir_Ag140_GCN5_44	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-351.29103269; eV
	24-Oct-2023	1oxy,_dir_Ag140_GCN5_05_central_edge	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-351.29417498; eV
	24-Oct-2023	1oxy,_dir_Ag140_GCN4_94	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-351.23065716; eV

Results 21-30 of 74 (Search time: 0.001 seconds).