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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_TS_O2_S_H_c6	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-1849.88095087; Eh
	13-Jul-2018	/M06_calculations bh_TS_c6_c8_OAc	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-2007.04322247; Eh
	13-Jul-2018	/M06_calculations bh_c6_yne_OAc	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-2007.06263261; Eh
	13-Jul-2018	/B3LYPD3_calculations c9-OAc	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-2007.90866609; Eh
	13-Jul-2018	/B3LYPD3_calculations c8-OAc	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-2007.89457347; Eh
	13-Jul-2018	/M06_calculations bh_int3	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-1508.42311436; Eh
	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

Results 12351-12360 of 104079 (Search time: 0.009 seconds).