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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Oct-2016	/Bimetallic/O_Al/TS_p TS_p	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D3	6-311G**	-3178.70491373; Eh
	17-Oct-2016	/Bimetallic/Carbonyl/TS_p/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-3178.76116781; Eh
	17-Oct-2016	/Dimer/Al_Me_I/Reactants/Iodide/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	-	-11.5865849346; Eh
	17-Oct-2016	/Reactants/CO2 CO2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	-	-188.535124380; Eh
	17-Oct-2016	/Dimer/Al_Me_I/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_Cl/Poly/Dec_TS Dec_TS	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D3	6-311G**	-3481.39302030; Eh
	17-Oct-2016	/Dimer/Al_Cl_Cl/Poly/Product/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-3182.36009127; Eh
	17-Oct-2016	/Bimetallic/O_Al/Product/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-1999.21097203; Eh
	17-Oct-2016	/Initiation_Insertion/TS2/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-1689.43578948; Eh
	17-Oct-2016	/Initiation_Insertion/TS3/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-1689.42346906; Eh

Results 9171-9180 of 103542 (Search time: 0.008 seconds).