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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_4 T4Syn_Re_Down_Cis_4	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Single point TS	RM062X	-	-1858.06776467; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/TS_H_Cp_II_III TS_H_Cp_II_III_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-968.0826386; Eh
	3-Oct-2019	ircfor_DMF_sp2_ts_pdpme32_c_transnoulliu_calcall	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	-	6-31+G(D,P) SDD	-3853.28915783; Eh
	3-Oct-2019	ircfor_DMF_sp2_ts_pdpme32_c_transnoulliu_calcall_c	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	-	6-31+G(D,P) SDD	-3853.32222098; Eh
	22-Jul-2018	/Mayer/UO2_NO3_xH2O/UO2_3H2O UO2_3H2O	Petrus, Enric	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G; SDD*	-1137.16735283; Eh
	22-Jul-2018	/Mayer/UO2_NO3_xH2O/UO2_2H2O UO2_2H2O	Petrus, Enric	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G; SDD*	-1060.71341943; Eh
	22-Jul-2018	/ADF/ADF_P1/UO2_OH_NO3_H2O UO2_OH_NO3_H2O	Petrus, Enric	ADF; 2016	Single point TS	DFT	TZP	-
	7-Apr-2019	/Epimerization_of_the_3R_S_center EpiI1_CisDD_to_TransDU_3	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-3863.80035017; Eh
	7-Apr-2019	/Epimerization_of_the_3R_S_center EpiI3_CisDD_to_TransDU_1	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-1519.15691124; Eh
	7-Apr-2019	/Epimerization_of_the_3R_S_center EpiI3_CisDD_to_TransDU_3	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-3863.80197292; Eh

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