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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 TS-3re	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1509.26060772; Eh
	13-Jul-2018	/B3LYPD3_calculations c2	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1817.31242439; Eh
	13-Jul-2018	/B3LYPD3_calculations c5	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1471.38375990; Eh
	13-Jul-2018	/B3LYPD3_calculations c4	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1471.86872617; Eh
	13-Jul-2018	/B3LYPD3_calculations c3	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1589.08044526; Eh
	13-Jul-2018	/B3LYPD3_calculations O2	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311++G**	-150.377261042; Eh
	13-Jul-2018	/B3LYPD3_calculations TS-c4-OAc-c5	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1700.55818722; Eh
	13-Jul-2018	/B3LYPD3_calculations c5-O2-S	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1621.79357470; Eh
	13-Jul-2018	/B3LYPD3_calculations c5-O2-T	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311++G**	-1621.77083293; Eh
	13-Jul-2018	/B3LYPD3_calculations 5	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-2904.39024100; Eh

Results 81-90 of 94 (Search time: 0.002 seconds).