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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_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
	31-May-2022	/Catalytic_cycle/MgZn Int2_MgZn	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Geometry optimization Minimum	DFT	def2-SVP	-4040.58075649; Eh
	31-May-2022	/Catalytic_cycle/MgZn Int1_MgZn_sp	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Single point	DFT	def2-TZVP	-4042.82701223; Eh
	18-Aug-2022	/Stepped_Cu_structure COOH_ads	Ding, Yanyan	vasp; 5.4.1; 24Jun15 (build May 18 2016 17:04:48) complex	Geometry optimization	DFT	-	-731.22914848; eV
	18-Aug-2022	/Stepped_Cu_structure stepped_Cu111	Ding, Yanyan	vasp; 5.4.1; 24Jun15 (build May 18 2016 17:04:48) complex	Geometry optimization	DFT	-	-704.70190782; eV
	18-Aug-2022	/CO2_reduction/oxidized_cluster HCOO_ads_Fe_oxidized_cluster	Ding, Yanyan	vasp; 5.4.1; 24Jun15 (build May 18 2016 17:04:48) complex	Geometry optimization	DFT	-	-858.79826152; eV
	18-Aug-2022	/CO2_reduction/oxidized_cluster COOH_ads_Fe_oxidized_cluster	Ding, Yanyan	vasp; 5.4.1; 24Jun15 (build May 18 2016 17:04:48) complex	Geometry optimization	DFT	-	-858.58788071; eV
	18-Aug-2022	/CO2_reduction/oxidized_cluster HCOO_ads_Zn_oxidized_cluster	Ding, Yanyan	vasp; 5.4.1; 24Jun15 (build May 18 2016 17:04:48) complex	Geometry optimization	DFT	-	-828.11975608; eV
	18-Aug-2022	/CO2_reduction/oxidized_cluster COOH_ads_Zn_oxidized_cluster	Ding, Yanyan	vasp; 5.4.1; 24Jun15 (build May 18 2016 17:04:48) complex	Geometry optimization	DFT	-	-827.41903727; eV

Results 1311-1320 of 4340 (Search time: 0.002 seconds).