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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
19-Apr-2018	CuOAc2_dimer_T	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB97D	6-311++G**	-1459.99328122; Eh
19-Apr-2018	12-RhII	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB97D	LANL2DZ; 6-31G*	-763.343446901; Eh
19-Apr-2018	10p	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB97D	6-311++G**	-2993.91562074; Eh
19-Apr-2018	15p	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D	6-311++G**	-1070.23640683; Eh
19-Apr-2018	22	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D	6-311++G**	-722.634707481; Eh
19-Apr-2018	17	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D	6-311++G**	-881.702948789; Eh
19-Apr-2018	4	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D	6-311++G**	-926.169842697; Eh
8-May-2018	2_R_TD	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06; TD-FC	lanl2dz; 6-31+g(d)	-956.199443151; Eh
8-May-2018	3_R	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	lanl2dz; 6-31+g(d)	-900.860845359; Eh
19-Apr-2018	CuOAcH2O_dimer	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D	6-311++G**	-1003.14828971; Eh

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