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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/Insertion_2CO2/polycho/ts_isom/6_31G/scan scan	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-31G*	-2187.12942303; Eh
	17-Oct-2016	/Dimer/Al_Cl_Cl/Poly/Scans/Scan2/Sum Sum	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-31G*	-3177.93054392; Eh
	17-Oct-2016	/Dimer/Al_Me_I/Poly/Int_p Int_p	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-3477.82794634; Eh
	17-Oct-2016	/Dimer/Al_Me_I/Poly/IC_p IC_p	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-3477.82195846; Eh
	17-Oct-2016	/Dimer/Al_Me_I/Poly/Dec_TS Dec_TS	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D3	6-311G**	-3477.82188754; Eh
	17-Oct-2016	/Bimetallic/Carbonyl/Product/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-1999.22628391; Eh
	17-Oct-2016	/Bimetallic/IC_p/NBO NBO	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-3178.73139481; Eh
	17-Oct-2016	/Reactants/Iodide Iodide	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	RB97D3	-	-11.4927518707; Eh
	17-Oct-2016	/Cyclic_Carbonate/TS_CC/CO2_CHO_Copolymerization/TS_CC/SOLV/Int1/CC/Initiation_Insertion/Cyclic_Carbonate/CC/IC/CO2_CHO_Copolymerization/Cyclic_Carbonate	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D3	6-311G**	-1500.82494677; Eh
	17-Oct-2016	/Cyclic_Carbonate/TS_CC/CO2_CHO_Copolymerization/TS_CC/SOLV/Int1/CC/Initiation_Insertion/Cyclic_Carbonate/CC	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-1677.86150153; Eh

Results 9121-9130 of 103542 (Search time: 0.007 seconds).