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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/MECP2-SP-Me MECP2-t-SP-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	LANL2DZ; 6-311++G(d,p)	-2234.25926275; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me)/Single_Point_Calculations/MECP1-SP-Me MECP-t-SP-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	LANL2DZ; 6-311++G(d,p)	-2234.24714256; Eh
	19-Jul-2017	/Hydrogen_substituent_(R=H) I5-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ; 6-31G(d)	-2194.48386748; Eh
	19-Jul-2017	/Hydrogen_substituent_(R=H) TS6_H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ; 6-31G(d)	-2194.50691896; Eh
	19-Jul-2017	/Hydrogen_substituent_(R=H) I4-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ; 6-31G(d)	-2194.48120589; Eh
	15-Dec-2016	Mo132_H2PO2	Melgar, Dolores	ADF; 2012; 01	Geometry optimization	DFT	TZP	-
	15-Dec-2016	W132_muS2	Melgar, Dolores	ADF; 2012; 01	Geometry optimization	DFT	TZP	-
	17-Oct-2016	/Dimer/Al_Me_Cl/Insertion/Int2 Int2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-3171.63096765; Eh
	17-Oct-2016	/Dimer/Al_Me_Cl/Poly/IC_p/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-3481.44862458; Eh
	17-Oct-2016	/Dimer/Al_Me_I/Poly/TS_p/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-3477.85550037; Eh

Results 9051-9060 of 103542 (Search time: 0.007 seconds).