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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 Int5a_ZnMg	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Geometry optimization	DFT	def2-SVP	-4538.71879446; 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 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 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 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 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 poly_cyclohexene_carbonate	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Geometry optimization Minimum	DFT	def2-SVP	-1036.71621740; Eh
	31-May-2022	/Catalytic_cycle/ZnMg poly_cyclohexene_carbonate_sp	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Single point	DFT	def2-TZVP	-1037.88022259; Eh

Results 41-50 of 78 (Search time: 0.001 seconds).