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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 I2-SP-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2234.25539714; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me)/Single_Point_Calculations TS5-SP-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2234.25267970; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me)/Single_Point_Calculations I5-SP-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2234.25433794; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me)/Single_Point_Calculations TS3-SP-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2234.25941286; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me)/Single_Point_Calculations TS4-SP-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2234.25314188; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me)/Single_Point_Calculations I3-SP-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2234.26807868; Eh
	19-Jul-2017	/Hydrogen_substituent_(R=H) TS9-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ; 6-31G(d)	-2194.51875261; Eh
	19-Jul-2017	/Hydrogen_substituent_(R=H) TS8-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ; 6-31G(d)	-2194.50885356; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me)/Single_Point_Calculations TS6-SP-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2234.28646072; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me)/Single_Point_Calculations/MECP2-SP-Me MECP2-s-SP-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2234.25361145; Eh

Results 541-550 of 12948 (Search time: 0.003 seconds).