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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	13-Jul-2018	/B3LYPD3_calculations c8	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1779.14939595; Eh
	13-Jul-2018	/B3LYPD3_calculations c9	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1779.18657607; Eh
	13-Jul-2018	/B3LYPD3_calculations 4	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1588.61959699; Eh
	13-Jul-2018	/B3LYPD3_calculations TS-c6-O2-S-H-c6	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1850.99515630; Eh
	13-Jul-2018	/B3LYPD3_calculations TS-c8-c9-OAc	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-2007.86267805; Eh
	13-Jul-2018	/B3LYPD3_calculations TS-c7-c9	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1930.76029568; Eh
	13-Jul-2018	/B3LYPD3_calculations TS-c8-c9	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1779.12982508; Eh
	13-Jul-2018	/B3LYPD3_calculations 3	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1509.30203560; Eh
	13-Jul-2018	/B3LYPD3_calculations H2O2	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-151.615070481; Eh
	13-Jul-2018	/B3LYPD3_calculations H2O	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-76.4671065915; Eh

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