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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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
	24-Oct-2023	O2,_dir_Ag20_abs8	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only	Geometry optimization	DFT	-	-52.11234674; eV
	24-Oct-2023	more_than_7_edge,__dir_Ag140_12_oxy_continuum	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_10oxy_s_pattern	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only	Geometry optimization	DFT	-	-402.76112206; 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	3oxy,_dir_Ag140_3oxy_4fold_inline	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-363.41503212; eV
	24-Oct-2023	1oxy,_dir_Ag140_GCN5_08	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-350.98788233; eV
	24-Oct-2023	1oxy,_dir_Ag140_GCN4_39_edge	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-351.29211106; eV
	24-Oct-2023	o_2oxy,_dir_Ag20_2oxy_prova3	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only	Geometry optimization	DFT	-	-52.82880785; eV

Results 21-30 of 63 (Search time: 0.002 seconds).