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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
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
19-Apr-2018	10	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB97D	6-311++G**	-2993.91498325; Eh
19-Apr-2018	TS24p-25p	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D	6-311++G**	-1229.27068928; Eh
19-Apr-2018	13	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB97D	6-311++G**	-2226.89862742; Eh
19-Apr-2018	AgOAc	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D	6-311++G**	-374.471442736; Eh
19-Apr-2018	TS15Ag-18	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D	6-311++G**	-1819.27522650; Eh
19-Apr-2018	TS21-22	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D	6-311++G**	-951.663377417; Eh
19-Apr-2018	5	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB97D	6-311++G**	-1651.63131080; Eh
19-Apr-2018	24p	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D	6-311++G**	-1229.29177063; Eh

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