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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) I7-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ; 6-31G(d)	-2194.52685376; Eh
	19-Jul-2017	/Hydrogen_substituent_(R=H) TS0-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UB3LYP	LANL2DZ; 6-31G(d)	-2194.42329742; Eh
	19-Jul-2017	/Hydrogen_substituent_(R=H) I3-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ; 6-31G(d)	-2194.48563438; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me)/Single_Point_Calculations 3I0ad-SP-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	LANL2DZ; 6-311++G(d,p)	-2234.21354874; 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) TS1-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	LANL2DZ; 6-31G(d)	-2194.48395042; Eh
	19-Jul-2017	/Hydrogen_substituent_(R=H) TS5-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-31G(d)	-2194.48275227; 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	/Hydrogen_substituent_(R=H) TS4-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ; 6-31G(d)	-2194.48218140; Eh
	19-Jul-2017	/Hydrogen_substituent_(R=H) TS2-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ; 6-31G(d)	-2194.47621540; Eh

Results 51-60 of 207 (Search time: 0.002 seconds).