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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 HOAc_sp	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Single point	DFT	def2-TZVP	-229.20109202; Eh
	31-May-2022	/Catalytic_cycle/ZnMg CO2	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Geometry optimization Minimum	DFT	def2-SVP	-188.45808624; Eh
	31-May-2022	/Catalytic_cycle/ZnMg Int4_ZnMg	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Geometry optimization Minimum	DFT	def2-SVP	-4229.01417873; 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 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 Int4_ZnMg_sp	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Single point	DFT	def2-TZVP	-4231.52659334; Eh
	31-May-2022	/Catalytic_cycle/ZnMg Int8a_ZnMg	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Geometry optimization	DFT	def2-SVP	-4767.67732453; Eh
	31-May-2022	/Catalytic_cycle/ZnMg Int8a_ZnMg_sp	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Single point	DFT	def2-TZVP	-4770.71844965; Eh
	31-May-2022	/Catalytic_cycle/ZnMg TS1_ZnMg	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Geometry optimization TS	DFT	def2-SVP	-4040.56419679; Eh
	31-May-2022	/Catalytic_cycle/ZnMg TS3b_ZnMg	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Geometry optimization TS	DFT	def2-SVP	-4229.03723385; Eh

Results 101-110 of 552 (Search time: 0.002 seconds).