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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 Int5b_ZnMg	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Geometry optimization	DFT	def2-SVP	-4228.56400332; Eh
	31-May-2022	/Catalytic_cycle/ZnMg Int5a_ZnMg_sp	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Single point	DFT	def2-TZVP	-4541.50018480; Eh
	31-May-2022	/Catalytic_cycle/ZnMg TS2_ZnMg	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Geometry optimization TS	DFT	def2-SVP	-4229.05303640; Eh
	31-May-2022	/Catalytic_cycle/ZnMg TS1_ZnMg_sp	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Single point	DFT	def2-TZVP	-4042.79658524; Eh
	31-May-2022	/Catalytic_cycle/ZnMg TS2_ZnMg_sp	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Single point	DFT	def2-TZVP	-4231.50569074; 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
	31-May-2022	/Catalytic_cycle/ZnMg Int6a_ZnMg_sp	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Single point	DFT	def2-TZVP	-4541.49363711; Eh
	31-May-2022	/Catalytic_cycle/ZnMg Int5b_ZnMg_sp	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Single point	DFT	def2-TZVP	-4231.51574963; 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 81-90 of 552 (Search time: 0.002 seconds).