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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) I5-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ; 6-31G(d)	-2233.80654139; 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) TS3-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ; 6-31G(d)	-2233.81243236; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me) TS6-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ; 6-31G(d)	-2233.83977928; 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
	19-Jul-2017	/Methyl_substituent_(R=Me) TS2-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ; 6-31G(d)	-2233.80836891; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me) TS5-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-31G(d)	-2233.80489734; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me) TS4-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ; 6-31G(d)	-2233.80567986; Eh

Results 11-20 of 88 (Search time: 0.001 seconds).