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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 TS9-SP-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2234.28816336; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me)/Single_Point_Calculations I7-SP-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2234.30356234; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me)/Single_Point_Calculations I9-SP-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2234.27244394; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me)/Single_Point_Calculations I6-SP-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2234.29796329; Eh
	19-Jul-2017	/Hydrogen_substituent_(R=H) 3I0ad-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	LANL2DZ; 6-31G(d)	-2194.42346857; Eh
	19-Jul-2017	/Hydrogen_substituent_(R=H) 3I1-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	LANL2DZ; 6-31G(d)	-2194.48580334; Eh
	19-Jul-2017	/Hydrogen_substituent_(R=H) 3I8-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	LANL2DZ; 6-31G(d)	-2194.49637548; Eh
	19-Jul-2017	/Hydrogen_substituent_(R=H) I3-2-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ; 6-31G(d)	-2194.48044599; Eh
	19-Jul-2017	/Hydrogen_substituent_(R=H) I12-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ; 6-31G(d)	-2194.57526589; Eh
	19-Jul-2017	/Hydrogen_substituent_(R=H) I10-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ; 6-31G(d)	-2194.50962439; Eh

Results 1451-1460 of 12842 (Search time: 0.005 seconds).