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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Oct-2023	6oxy,_dir_Ag140_6oxy_3fold_edges	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only	Geometry optimization	DFT	-	-379.01602115; eV
	24-Oct-2023	4oxy,_dir_Ag140_4oxy_4fold	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-369.27127944; eV
	24-Oct-2023	5oxy,_dir_Ag140_5fold	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-374.76104082; eV
	24-Oct-2023	1oxy,_dir_Ag20_GCN_2_67	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only	Geometry optimization	DFT	-	-47.67639562; eV
	24-Oct-2023	1oxy,_dir_Ag20_GCN_5_25	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only	Geometry optimization	DFT	-	-47.83651983; eV
	24-Oct-2023	1oxy,_dir_Ag20_GCN_3_14	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only	Geometry optimization	DFT	-	-47.83606396; eV
	24-Oct-2023	1oxy,_dir_Ag20_GCN_2_73	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only	Geometry optimization	DFT	-	-46.60177120; eV
	24-Oct-2023	1oxy,_dir_Ag20_GCN_3_67	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only	Geometry optimization	DFT	-	-47.83518509; eV
	24-Oct-2023	O2,_dir_Ag20_abs2_edges	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only	Geometry optimization	DFT	-	-51.98596803; eV
	24-Oct-2023	O2,_dir_Ag20_abs10	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only	Geometry optimization	DFT	-	-52.15806663; eV

Results 241-250 of 252 (Search time: 0.001 seconds).