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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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
	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	/M06_calculations bh_c10	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-1470.93986042; Eh
	13-Jul-2018	/B3LYPD3_calculations OAc	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-228.697666228; 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 c9-OAc	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-2007.90866609; 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 c9	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1779.18657607; Eh

Results 10431-10440 of 104592 (Search time: 0.009 seconds).