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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 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
	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
	2-Sep-2022	Figure 4f	Dandu, Naveen; Rojas, Tomas; Ngo, Anh; Hla, Saw-Wai	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 07 2017 12:30:28) gamma-only	Geometry optimization	DFT	-	-1423.28981274; eV
	31-May-2022	/Catalytic_cycle/ZnMg Int4_ZnMg	Welington de Lima, Lucas	Orca; 4.2.1; RELEASE	Geometry optimization Minimum	DFT	def2-SVP	-4229.01417873; Eh

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