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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Oct-2023	co_pt8,_top_site,_0_te	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only	Geometry optimization	DFT	-	-717.53103359; 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	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	6oxy,_dir_Ag140_3fold_central_edges	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only	Geometry optimization	DFT	-	-379.00532604; eV
	24-Oct-2023	2oxy,_dir_Ag140_2oxy_fold	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-357.50350206; eV
	24-Oct-2023	2oxy,_dir_Ag140_2oxy_4fold_comb2	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-357.57381740; eV
	24-Oct-2023	1oxy,_dir_Ag140_GCN6_32	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-351.00262888; eV
	24-Oct-2023	1oxy,_dir_Ag140_GCN4_45	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-351.22643157; eV
	24-Oct-2023	1oxy,_dir_Ag140_GCN4_08	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-351.63160526; 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

Results 161-170 of 233 (Search time: 0.002 seconds).