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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Jul-2017	/Hydrogen_substituent_(R=H) I4-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ; 6-31G(d)	-2194.48120589; Eh
	19-Jul-2017	/Hydrogen_substituent_(R=H)/Single_Points_Calculations 3I0ad-SP-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	LANL2DZ; 6-311++G(d,p)	-2194.87027189; Eh
	19-Jul-2017	/Hydrogen_substituent_(R=H)/Single_Points_Calculations 3I1-SP-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	LANL2DZ; 6-311++G(d,p)	-2194.92251890; Eh
	19-Jul-2017	/Hydrogen_substituent_(R=H)/Single_Points_Calculations 3I8-SP-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	LANL2DZ; 6-311++G(d,p)	-2194.93742070; Eh
	19-Jul-2017	/Hydrogen_substituent_(R=H)/Single_Points_Calculations I10-SP-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2194.94597321; Eh
	19-Jul-2017	/Hydrogen_substituent_(R=H)/Single_Points_Calculations I11-SP-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2194.96091337; Eh
	19-Jul-2017	/Hydrogen_substituent_(R=H) TS7-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ; 6-31G(d)	-2194.47457262; Eh
	19-Jul-2017	/Hydrogen_substituent_(R=H)/Single_Points_Calculations I3-SP-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2194.92067893; Eh
	19-Jul-2017	/Hydrogen_substituent_(R=H)/Single_Points_Calculations I3-2-SP-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2194.91614193; Eh
	19-Jul-2017	/Hydrogen_substituent_(R=H)/Single_Points_Calculations I12-SP-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2195.01606728; Eh

Results 1491-1500 of 12842 (Search time: 0.004 seconds).