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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Oct-2023	more_than_7_edge,_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
	31-May-2022	/Catalytic_cycle/ZnMg cat_ZnMg	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Geometry optimization Minimum	DFT	def2-SVP	-3730.94740479; Eh
	31-May-2022	/Catalytic_cycle/MgZn TS2_MgZn	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Geometry optimization TS	DFT	def2-SVP	-4229.04053480; Eh
	31-May-2022	/Catalytic_cycle/MgZn TS2_MgZn_sp	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Single point	DFT	def2-TZVP	-4231.49065385; Eh
	18-Aug-2022	/CO2_reduction/metallic_cluster HCOO_ads_Ag_cluster	Ding, Yanyan	vasp; 5.4.1; 24Jun15 (build May 18 2016 17:04:48) complex	Geometry optimization	DFT	-	-745.52205549; eV
	18-Aug-2022	/CO2_reduction/metallic_cluster COOH_ads_Ag_cluster	Ding, Yanyan	vasp; 5.4.1; 24Jun15 (build May 18 2016 17:04:48) complex	Geometry optimization	DFT	-	-744.58783374; eV
	18-Aug-2022	/CO2_reduction/metallic_cluster COOH_ads_Sn_cluster	Ding, Yanyan	vasp; 5.4.1; 24Jun15 (build May 18 2016 17:04:48) complex	Geometry optimization	DFT	-	-752.91217604; eV
	18-Aug-2022	/CO2_reduction/metallic_cluster HCOO_ads_Sn_cluster	Ding, Yanyan	vasp; 5.4.1; 24Jun15 (build May 18 2016 17:04:48) complex	Geometry optimization	DFT	-	-753.88567383; eV
	18-Aug-2022	/CO2_reduction/alloy COOH_ads_ZnCu	Ding, Yanyan	vasp; 5.4.1; 24Jun15 (build May 18 2016 17:04:48) complex	Geometry optimization	DFT	-	-724.78761278; eV
	18-Aug-2022	/CO2_reduction/alloy HCOO_ads_ZnCu	Ding, Yanyan	vasp; 5.4.1; 24Jun15 (build May 18 2016 17:04:48) complex	Geometry optimization	DFT	-	-725.67879133; eV

Results 1351-1360 of 4340 (Search time: 0.003 seconds).