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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	13-Jul-2018	/M06_calculations bh_MECP_T	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UM06	6-311++G**	-1620.79314396; Eh
	13-Jul-2018	/M06_calculations bh_c7	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-1929.54549844; Eh
	13-Jul-2018	/B3LYPD3_calculations c10	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1471.84615333; Eh
	13-Jul-2018	/M06_calculations bh_H2O2	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-151.535492574; Eh
	13-Jul-2018	/B3LYPD3_calculations alkyne	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-308.494717503; Eh
	13-Jul-2018	/M06_calculations bh_TS_c4_c10	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-1470.93539337; Eh
	13-Jul-2018	/M06_calculations bh_TS_c8_c9	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-1777.97572387; Eh
	13-Jul-2018	/B3LYPD3_calculations c7	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1930.78635869; Eh
	13-Jul-2018	/B3LYPD3_calculations c1	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1817.80421985; Eh
	13-Jul-2018	/M06_calculations bh_c1	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-1816.65964985; Eh

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