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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
17-Oct-2016	/Dimer/Al_Cl_I/Poly/Extra/ICp2 ICp2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-31G*	-3177.95465190; Eh
17-Oct-2016	/Dimer/Al_Cl_I/Poly/Int_p Int_p	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-3178.72789151; Eh
17-Oct-2016	/Dimer/Al_Cl_I/Insertion/TS2/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-2869.01907915; Eh
17-Oct-2016	/Dimer/Al_Cl_I/Reactants/CAT/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-1179.51994782; Eh
17-Oct-2016	/Dimer/Al_Me_Cl/RO/Int1/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-2983.15044858; Eh
17-Oct-2016	/Dimer/Al_H_I/Insertion/Int3/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-2696.50326953; Eh
17-Oct-2016	/Dimer/Al_Me_Cl/RO/TS TS	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D3	6-311G**	-2983.05748402; Eh
17-Oct-2016	/Dimer/Al_Cl_I/Reactants/CO2 CO2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	-	-188.535124368; Eh

Results 281-288 of 288 (Search time: 0.002 seconds).