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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	/Dimer/Al_Me_Cl/Reactants/Chloride Chloride	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	RB97D3	-	-15.0283281733; Eh
	17-Oct-2016	/Dimer/Al_Me_I/Reactants/Iodide Iodide	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	RB97D3	-	-11.4927518707; Eh
	17-Oct-2016	/Dimer/Al_Me_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_Cl_Cl/Insertion/Int2 Int2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-2872.53833084; Eh
	17-Oct-2016	/Dimer/Al_Me_Cl/Insertion/TS2/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-3171.68563899; Eh
	17-Oct-2016	/Dimer/Al_Cl_Cl/Poly/Dec_TS Dec_TS	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D3	6-311G**	-3182.28958988; Eh
	17-Oct-2016	/Dimer/Al_Cl_Cl/Poly/Int_p/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-3182.35912093; Eh
	17-Oct-2016	/Dimer/Al_Me_Cl/Insertion/TS3 TS3	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D3	6-311G**	-3171.63174610; Eh
	17-Oct-2016	/Dimer/Al_Cl_Cl/Insertion/TS2 TS2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D3	6-311G**	-2872.53477824; Eh
	17-Oct-2016	/Dimer/Al_Me_Cl/Reactants/CAT/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-1329.08504738; Eh

Results 9181-9190 of 103542 (Search time: 0.008 seconds).