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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	7-Apr-2019	/Catalytic_cycle_3 (3S,3aR)-Furanone	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-3571.77240703; Eh
	19-Sep-2018	/1_electron/1_H+/W2OS8H A1	Bandeira, Nuno	ADF; 2017	Geometry optimization Minimum	DFT	TZ2P	-3.09569081; Eh
	19-Sep-2018	/1_electron/1_H+/W2OS8H A2	Bandeira, Nuno	ADF; 2017	Geometry optimization Minimum	DFT	TZ2P	-3.10472316; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/TS_H_Cp_II_III TS_H_Cp_II_III	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-967.855493659; Eh
	7-Apr-2019	/Catalytic_cycle_4 I3_Si_Down_Cis_4	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-1282.13027703; Eh
	7-Apr-2019	/Catalytic_cycle_4 I3_Et3NHBF4_Cis_4	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-1998.83108301; Eh
	7-Apr-2019	/Catalytic_cycle_4 I3_Si_Up_Cis_4	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-1282.12744898; Eh
	7-Apr-2019	/Catalytic_cycle_4 T3_Et3NHBF4_Cis_4	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-1998.79983013; Eh
	7-Apr-2019	/Catalytic_cycle_4 T4Anti_Si_Down_Cis_4	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-1858.06597814; Eh
	7-Apr-2019	/Catalytic_cycle_4 T4Syn_Si_Down_Cis_4	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-1858.05799025; Eh

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