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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
22-Jul-2018	/Second_Set/2A 2A	Petrus, Enric	ADF; 2016	Geometry optimization Minimum	DFT	TZP	-
22-Jul-2018	/Second_Set/18A 18A	Petrus, Enric	ADF; 2016	Geometry optimization TS	DFT	TZP	-
19-Apr-2018	8	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB97D	6-311++G**	-2646.35032480; Eh
19-Apr-2018	20	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D	6-311++G**	-951.679787065; Eh
8-May-2018	2_TS3	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UM06	lanl2dz; 6-31+g(d)	-1106.37109730; Eh
22-Jul-2018	/Second_Set/2no3_oh 2no3_oh	Petrus, Enric	ADF; 2016	Geometry optimization Minimum	DFT	TZP	-
22-Jul-2018	/Second_Set/2o2_no3 2o2_no3	Petrus, Enric	ADF; 2016	Geometry optimization Minimum	DFT	TZP	-
22-Jul-2018	/Second_Set/3no3 3no3	Petrus, Enric	ADF; 2016	Geometry optimization Minimum	DFT	TZP	-
22-Jul-2018	/Second_Set/4A 4A	Petrus, Enric	ADF; 2016	Geometry optimization Minimum	DFT	TZP	-
22-Jul-2018	/Second_Set/6A 6A	Petrus, Enric	ADF; 2016	Geometry optimization Minimum	DFT	TZP	-

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