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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/MgZn Int3_MgZn_sp	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Single point	DFT	def2-TZVP	-4231.50082229; 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
	31-May-2022	/Catalytic_cycle/ZnMg TS3a_ZnMg_sp	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Single point	DFT	def2-TZVP	-4541.47195018; Eh
	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 TS1_ZnZn	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Geometry optimization TS	DFT	def2-SVP	-5619.85813082; 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 Int4_ZnZn_sp	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Single point	DFT	def2-TZVP	-5811.00506309; Eh
	31-May-2022	/Catalytic_cycle/MgZn TS1_MgZn	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Geometry optimization TS	DFT	def2-SVP	-4040.56687319; Eh
	31-May-2022	/Catalytic_cycle/MgZn Int4_MgZn_sp	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Single point	DFT	def2-TZVP	-4231.51537595; Eh
	31-May-2022	/Catalytic_cycle/MgZn TS1_MgZn_sp	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Single point	DFT	def2-TZVP	-4042.80289148; Eh

Results 21-30 of 78 (Search time: 0.001 seconds).