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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 CO2_sp	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Single point	DFT	def2-TZVP	-188.68154376; Eh
	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
	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
	31-May-2022	/Catalytic_cycle/ZnMg Int3_ZnMg	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Geometry optimization Minimum	DFT	def2-SVP	-4229.01974673; Eh
	31-May-2022	/Catalytic_cycle/ZnMg Int2_ZnMg	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Geometry optimization Minimum	DFT	def2-SVP	-4040.59283826; Eh
	31-May-2022	/Catalytic_cycle/ZnMg Int2_ZnMg_sp	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Single point	DFT	def2-TZVP	-4042.82146942; Eh
	31-May-2022	/Catalytic_cycle/ZnMg Int3_ZnMg_sp	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Single point	DFT	def2-TZVP	-4231.51003774; Eh
	31-May-2022	/Catalytic_cycle/ZnMg Int6a_ZnMg	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Geometry optimization Minimum	DFT	def2-SVP	-4538.46163324; Eh

Results 1171-1180 of 4288 (Search time: 0.002 seconds).