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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
19-Jul-2017	/Hydrogen_substituent_(R=H)/Single_Points_Calculations/MECP1-SP-H MECP1-s-SP-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2194.92135467; Eh
19-Jul-2017	/Hydrogen_substituent_(R=H)/Single_Points_Calculations/MECP2-SP-H MECP2-s-SP-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2194.92389742; Eh
19-Jul-2017	/Hydrogen_substituent_(R=H)/Single_Points_Calculations TS9-SP-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2194.95368926; Eh
20-Jul-2017	I12-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ; 6-31G(d)	-2233.91009738; Eh
20-Jul-2017	MECP1s-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-31G(d)	-2194.48471558; Eh
20-Jul-2017	MECP2s-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-31G(d)	-2233.80620318; Eh
20-Jul-2017	MECP2s-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-31G(d)	-2194.48630451; Eh
20-Jul-2017	MECP1s-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-31G(d)	-2233.80060063; Eh

Results 81-88 of 88 (Search time: 0.001 seconds).