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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Oct-2023	4f_core,_3_te,_label_133	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only	Geometry optimization	DFT	-	-699.06396752; eV
	23-Oct-2023	4f_core,_3_te,_label_126	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only	Geometry optimization	DFT	-	-699.13252476; eV
	23-Oct-2023	4f_core,_3_te,_label_125	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only	Geometry optimization	DFT	-	-699.28512744; eV
	23-Oct-2023	4f_core,_3_te,_label_124	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only	Geometry optimization	DFT	-	-699.01647890; eV
	23-Oct-2023	4f_core,_3_te,_label_123	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only	Geometry optimization	DFT	-	-699.11988577; eV
	23-Oct-2023	4f_core,_3_te,_label_122	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only	Geometry optimization	DFT	-	-699.08467239; eV
	23-Oct-2023	4f_core,_2_te,_label_66	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only	Geometry optimization	DFT	-	-699.72619942; eV
	23-Oct-2023	4f_core,_2_te,_label_46	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only	Geometry optimization	DFT	-	-699.70266175; eV
	31-May-2022	/Catalytic_cycle/ZnMg Int6b_ZnMg	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Geometry optimization Minimum	DFT	def2-SVP	-4229.07208189; Eh
	31-May-2022	/Catalytic_cycle/ZnMg cis-CHC	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Geometry optimization Minimum	DFT	def2-SVP	-498.11801204; Eh

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