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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/MgMg Int3_MgMg	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Geometry optimization	DFT	def2-SVP	-2649.75482913; Eh
	31-May-2022	/Catalytic_cycle/MgMg Int3_MgMg_sp	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Single point	DFT	def2-TZVP	-2652.01997559; Eh
	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
	31-May-2022	/Catalytic_cycle/ZnMg CHO	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Geometry optimization Minimum	DFT	def2-SVP	-309.63247534; Eh
	31-May-2022	/Catalytic_cycle/ZnMg CHO_sp	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Single point	DFT	def2-TZVP	-309.97364638; Eh
	31-May-2022	/Catalytic_cycle/ZnZn TS2_ZnZn	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Geometry optimization TS	DFT	def2-SVP	-5808.34298185; Eh
	31-May-2022	/Catalytic_cycle/ZnZn TS1_ZnZn_sp	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Single point	DFT	def2-TZVP	-5622.27703803; Eh
	31-May-2022	/Catalytic_cycle/ZnZn TS2_ZnZn_sp	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Single point	DFT	def2-TZVP	-5810.97985280; Eh
	31-May-2022	/Catalytic_cycle/ZnMg Int5a_ZnMg	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Geometry optimization	DFT	def2-SVP	-4538.71879446; Eh

Results 71-80 of 552 (Search time: 0.002 seconds).