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Showing results 6688 to 6707 of 25648 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
19-Jul-2017	/Hydrogen_substituent_(R=H)/Single_Points_Calculations 3I8-SP-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	LANL2DZ; 6-311++G(d,p)	-2194.93742070; Eh
19-Jul-2017	/Hydrogen_substituent_(R=H)/Single_Points_Calculations I10-SP-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2194.94597321; Eh
19-Jul-2017	/Hydrogen_substituent_(R=H)/Single_Points_Calculations I11-SP-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2194.96091337; Eh
19-Jul-2017	/Hydrogen_substituent_(R=H)/Single_Points_Calculations I12-SP-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2195.01606728; Eh
19-Jul-2017	/Hydrogen_substituent_(R=H)/Single_Points_Calculations I2-SP-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2194.93039896; Eh
19-Jul-2017	/Hydrogen_substituent_(R=H)/Single_Points_Calculations I3-2-SP-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2194.91614193; Eh
19-Jul-2017	/Hydrogen_substituent_(R=H)/Single_Points_Calculations I3-SP-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2194.92067893; Eh
19-Jul-2017	/Hydrogen_substituent_(R=H)/Single_Points_Calculations I4-SP-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2194.91729838; Eh
19-Jul-2017	/Hydrogen_substituent_(R=H)/Single_Points_Calculations I5-SP-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2194.92110993; Eh
19-Jul-2017	/Hydrogen_substituent_(R=H)/Single_Points_Calculations I6-SP-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2194.95559824; Eh
19-Jul-2017	/Hydrogen_substituent_(R=H)/Single_Points_Calculations I7-SP-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2194.96206539; Eh
19-Jul-2017	/Hydrogen_substituent_(R=H)/Single_Points_Calculations I9-SP-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2194.93834582; Eh
19-Jul-2017	/Hydrogen_substituent_(R=H)/Single_Points_Calculations TS0-SP-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	LANL2DZ; 6-311++G(d,p)	-2194.86914256; Eh
19-Jul-2017	/Hydrogen_substituent_(R=H)/Single_Points_Calculations TS1-SP-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	LANL2DZ; 6-311++G(d,p)	-2194.92039597; Eh
19-Jul-2017	/Hydrogen_substituent_(R=H)/Single_Points_Calculations TS2-SP-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2194.91200510; Eh
19-Jul-2017	/Hydrogen_substituent_(R=H)/Single_Points_Calculations TS3-SP-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2194.91422694; Eh
19-Jul-2017	/Hydrogen_substituent_(R=H)/Single_Points_Calculations TS4-SP-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2194.91866430; Eh
19-Jul-2017	/Hydrogen_substituent_(R=H)/Single_Points_Calculations TS5-SP-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2194.92077311; Eh
19-Jul-2017	/Hydrogen_substituent_(R=H)/Single_Points_Calculations TS6-SP-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2194.94234217; Eh
19-Jul-2017	/Hydrogen_substituent_(R=H)/Single_Points_Calculations TS7-SP-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2194.91232711; Eh

Showing results 6688 to 6707 of 25648 < previous next >