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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/MgZn TS1_MgZn_sp	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Single point	DFT	def2-TZVP	-4042.80289148; Eh
	16-Jun-2023	/DEF2SVP_SINGLEPOINT_DATA_AND_FFS crfe_ba_ms2	Mounssef Júnior, Bassim	Orca; 5.0.2; RELEASE	Single point	DFT	def2-svp	-15590.88784897; Eh
	16-Jun-2023	/DEF2SVP_SINGLEPOINT_DATA_AND_FFS crga_ba_ms1	Mounssef Júnior, Bassim	Orca; 5.0.2; RELEASE	Single point	DFT	def2-svp	-16251.89047326; Eh
	16-Jun-2023	/DEF2SVP_SINGLEPOINT_DATA_AND_FFS crga_ba_ms3	Mounssef Júnior, Bassim	Orca; 5.0.2; RELEASE	Single point	DFT	def2-svp	-16251.92053270; Eh
	16-Jun-2023	/DEF2SVP_SINGLEPOINT_DATA_AND_FFS crcu_ba_ms3	Mounssef Júnior, Bassim	Orca; 5.0.2; RELEASE	Single point	DFT	def2-svp	-15967.63903245; Eh
	16-Jun-2023	/DEF2SVP_SINGLEPOINT_DATA_AND_FFS crfe_ba_ms0	Mounssef Júnior, Bassim	Orca; 5.0.2; RELEASE	Single point	DFT	def2-svp	-15590.80145076; Eh
	16-Jun-2023	/DEF2SVP_SINGLEPOINT_DATA_AND_FFS crcu_ba_ms1	Mounssef Júnior, Bassim	Orca; 5.0.2; RELEASE	Single point	DFT	def2-svp	-15967.60423400; Eh
	16-Jun-2023	/DEF2SVP_SINGLEPOINT_DATA_AND_FFS crcr_ba_ms0	Mounssef Júnior, Bassim	Orca; 5.0.2; RELEASE	Single point	DFT	def2-svp	-15371.57123576; Eh
	16-Jun-2023	/DEF2SVP_SINGLEPOINT_DATA_AND_FFS crcr_ba_ms2	Mounssef Júnior, Bassim	Orca; 5.0.2; RELEASE	Single point	DFT	def2-svp	-15371.67437254; Eh
	16-Jun-2023	/DEF2SVP_SINGLEPOINT_DATA_AND_FFS crco_ba_ms3	Mounssef Júnior, Bassim	Orca; 5.0.2; RELEASE	Single point	DFT	def2-svp	-15709.94658881; Eh

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