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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Oct-2016	/Cyclic_Carbonate/TS_CC/CO2_CHO_Copolymerization/TS_CC/SOLV/Int1/CC CC	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-1677.84084488; Eh
	17-Oct-2016	/Dimer/Al_Cl_Cl/Poly/Scans/Scan2 Scan2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-31G*	-3177.94262806; Eh
	17-Oct-2016	/Dimer/Al_Me_I/Poly/TS_p TS_p	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D3	6-311G**	-3477.79884247; Eh
	17-Oct-2016	/Bimetallic/O_Al/Product Product	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-1999.15423797; Eh
	17-Oct-2016	/Bimetallic/O_Al/Int_p/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-3178.77051127; Eh
	17-Oct-2016	/Bimetallic/IC_p/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-3178.78898592; Eh
	17-Oct-2016	/Reactants/CO2/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	-	-188.537154025; Eh
	17-Oct-2016	/Reactants/CHO/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	-	-309.739192719; Eh
	17-Oct-2016	/Bimetallic/Insertion_2CO2/polycho/alternativo/ts_isom/6_31G/scan scan	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-31G*	-2187.13033986; Eh
	17-Oct-2016	/Dimer/Al_Me_I/Insertion/Int3/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-3168.13171824; Eh

Results 121-130 of 281 (Search time: 0.001 seconds).