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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 TS3b_ZnMg_sp	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Single point	DFT	def2-TZVP	-4231.48244169; Eh
	31-May-2022	/Catalytic_cycle/ZnZn Int1_ZnZn	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Geometry optimization Minimum	DFT	def2-SVP	-5619.87092995; Eh
	31-May-2022	/Catalytic_cycle/ZnZn Int1_ZnZn_sp	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Single point	DFT	def2-TZVP	-5622.30437585; Eh
	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 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 Int7a_ZnMg	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Geometry optimization Minimum	DFT	def2-SVP	-4767.64603807; Eh
	31-May-2022	/Catalytic_cycle/ZnMg Int7a_ZnMg_sp	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Single point	DFT	def2-TZVP	-4770.69835953; Eh
	31-May-2022	/Catalytic_cycle/ZnMg cis-CHC_sp	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Single point	DFT	def2-TZVP	-498.67612053; Eh
	31-May-2022	/Catalytic_cycle/ZnMg HOAc	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Geometry optimization Minimum	DFT	def2-SVP	-228.93113421; Eh

Results 91-100 of 552 (Search time: 0.001 seconds).