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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	31-May-2022	/Catalytic_cycle/ZnMg cat_ZnMg_sp	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Single point	DFT	def2-TZVP	-3732.84473395; Eh
	23-Oct-2023	4f_core,_2_te,_label_34	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only	Geometry optimization	DFT	-	-699.65448970; eV
	23-Oct-2023	4f_core,_2_te,_label_35	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only	Geometry optimization	DFT	-	-699.86518905; eV
	23-Oct-2023	4f_core,_2_te,_label_23	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only	Geometry optimization	DFT	-	-699.74331946; eV
	23-Oct-2023	4f_core,_2_te,_label_22	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only	Geometry optimization	DFT	-	-699.73065003; eV
	23-Oct-2023	4f_core,_1_te,_label_1	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 03 2015 11:45:30) gamma-only	Geometry optimization	DFT	-	-700.45967904; eV
	23-Oct-2023	h_pt8,_scnd_layer_site,_2_te	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Sep 21 2021 10:26:14) gamma-only	Geometry optimization	DFT	-	-704.16881884; eV
	23-Oct-2023	h_pt8,_scnd_layer_site,_1_te	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Sep 21 2021 10:26:14) gamma-only	Geometry optimization	DFT	-	-704.70157925; eV
	23-Oct-2023	h_pt8,_scnd_layer_site,_3_te	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Sep 21 2021 10:26:14) gamma-only	Geometry optimization	DFT	-	-703.37832499; eV
	23-Oct-2023	co_pt8,_top_site,_1_te	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 03 2015 11:45:30) gamma-only	Geometry optimization	DFT	-	-717.30269769; eV

Results 1271-1280 of 4289 (Search time: 0.002 seconds).