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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Oct-2016	/Dimer/Al_Me_I/RO/IC IC	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-2967.96626173; Eh
	17-Oct-2016	/Dimer/Al_Cl_I/Poly/Scans/Scan2/Sum/Freq/FAIL/Opt_fr Opt_fr	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-31G*	-3177.92698916; Eh
	17-Oct-2016	/Dimer/Al_Cl_I/Insertion/Extra/Scans/Scan_l/ScanSum ScanSum	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-31G*	-2868.27185339; Eh
	17-Oct-2016	/Dimer/Al_Cl_I/Poly/Extra/Break/Sum/Freq Freq	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	RB97D3	6-31G*	-3177.92241249; Eh
	17-Oct-2016	/Dimer/Al_Cl_I/Poly/Carbonate_2CO2 Carbonate_2CO2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-3367.27346977; Eh
	17-Oct-2016	/Dimer/Al_Cl_I/Poly/Extra/ICp1/Next Next	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-31G*	-3177.95534390; Eh
	17-Oct-2016	/Dimer/Al_Cl_I/Reactants/Dimer Dimer	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-2359.08115893; Eh
	17-Oct-2016	/Dimer/Al_H_I/RO/Int1/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-2507.94953640; Eh
	17-Oct-2016	/Dimer/Al_Cl_Cl/RO/TS TS	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D3	6-311G**	-2683.95097062; Eh
	17-Oct-2016	/Dimer/Al_Cl_I/Reactants/CHO CHO	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	-	-309.725460839; Eh

Results 9291-9300 of 103542 (Search time: 0.007 seconds).