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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	27-Jun-2023	tsCrot	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G SDD GENECP*	-1556.30679020; Eh
	22-Jul-2018	/Mayer/UO2_2NO3_xH2O/UO2_3H2O UO2_3H2O	Petrus, Enric	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+G; SDD*	-1417.66262734; Eh
	22-Jul-2018	/Mayer/UO2_2NO3_xH2O/UO2_2H2O UO2_2H2O	Petrus, Enric	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+G; SDD*	-1341.23772646; Eh
	22-Jul-2018	/Mayer/UO2_OH_xH2O/UO2_4H2O UO2_4H2O	Petrus, Enric	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G; SDD*	-1009.12465216; Eh
	22-Jul-2018	/Mayer/UO2_2NO3_xH2O/UO2_H2O UO2_H2O	Petrus, Enric	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+G; SDD*	-1264.78178362; Eh
	22-Jul-2018	/Mayer/UO2_H2Ox/UO2_6H2O UO2_6H2O	Petrus, Enric	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G; SDD*	-1085.96838323; Eh
	1-Sep-2023	D-1a	Xie, Jiale	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	DEF2TZVP	-1455.9065347; Eh
	7-Apr-2019	/Epimerization_of_the_3R_S_center EpiI1_CisDD_to_TransDU_1	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-1519.15528205; Eh
	7-Apr-2019	/Epimerization_of_the_3R_S_center EpiT3_CisDD_to_TransDU_1	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-1519.15553030; Eh
	7-Apr-2019	/Epimerization_of_the_3R_S_center EpiT1_CisDD_to_TransDU_1	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-1519.15410574; Eh

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