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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Jul-2017	/Methyl_substituent_(R=Me)/Single_Point_Calculations 3I8-SP-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	LANL2DZ; 6-311++G(d,p)	-2234.26974643; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me)/Single_Point_Calculations I12-SP-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2234.36054235; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me)/Single_Point_Calculations I10-SP-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2234.28609846; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me)/Single_Point_Calculations I3-2-SP-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2234.26320274; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me)/Single_Point_Calculations 3I1-SP-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	LANL2DZ; 6-311++G(d,p)	-2234.24800411; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me)/Single_Point_Calculations I11-SP-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2234.29684717; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me) TS7-2-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ; 6-31G(d)	-2233.80774099; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me) TS9-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ; 6-31G(d)	-2233.84245870; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me) TS7-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ; 6-31G(d)	-2233.80726212; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me) TS8-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ; 6-31G(d)	-2233.83788472; Eh

Results 501-510 of 12948 (Search time: 0.004 seconds).