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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Oct-2016	/Bimetallic/Carbonyl/TS_p TS_p	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D3	6-311G**	-3178.70363461; Eh
	17-Oct-2016	/Reactants/Catalyst Catalyst	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-1179.50357834; Eh
	17-Oct-2016	/Initiation_Insertion/IC/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-1489.31030423; Eh
	17-Oct-2016	/Dimer/Al_Me_I/Reactants/CO2/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	-	-188.537154122; Eh
	17-Oct-2016	/Bimetallic/Carbonyl/Int_p/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-3178.77816569; Eh
	17-Oct-2016	/Dimer/Al_Me_I/Reactants/CO2 CO2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	-	-188.535124368; Eh
	19-Jul-2017	/Hydrogen_substituent_(R=H)/Single_Points_Calculations 3I0ad-SP-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	LANL2DZ; 6-311++G(d,p)	-2194.87027189; Eh
	19-Jul-2017	/Hydrogen_substituent_(R=H)/Single_Points_Calculations 3I1-SP-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	LANL2DZ; 6-311++G(d,p)	-2194.92251890; Eh
	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

Results 9081-9090 of 103542 (Search time: 0.007 seconds).