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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-3-OAc	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1737.98290065; Eh
	13-Jul-2018	/B3LYPD3_calculations c6-OAc	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1851.00326084; Eh
	13-Jul-2018	/B3LYPD3_calculations c6-yne	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1930.78657929; Eh
	13-Jul-2018	/B3LYPD3_calculations c6	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1622.27265526; Eh
	13-Jul-2018	/B3LYPD3_calculations TS-c6-c7	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1930.76186996; 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	/B3LYPD3_calculations c10	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1471.84615333; 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	/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 c8	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1779.14939595; Eh

Results 1-10 of 43 (Search time: 0.001 seconds).