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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Oct-2016	/Monometallic/TS_p TS_p	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D3	6-311G**	-1999.09927272; Eh
	17-Oct-2016	/Initiation_Insertion/Int2/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-1689.44297229; Eh
	17-Oct-2016	/Initiation_Insertion/TS1/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-1500.89568766; Eh
	17-Oct-2016	/Monometallic/Product/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-1999.20464530; Eh
	17-Oct-2016	/Dimer/Al_Cl_Cl/Reactants/CHO CHO	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	-	-309.725460839; Eh
	22-Feb-2020	I_sp_basisset	García, Cristina	Gaussian; 09	Single point Structure	RB3LYP	GENECP	-2713.3563686; Eh
	17-Oct-2016	/Dimer/Al_Cl_I/Insertion/Extra/Ensemble Ensemble	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-2868.94731123; Eh
	17-Oct-2016	/Dimer/Al_Cl_I/Insertion/Extra/Int2 Int2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-2868.97720251; Eh
	17-Oct-2016	/Dimer/Al_Cl_Cl/Reactants/Dimer/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-2359.11264319; Eh
	17-Oct-2016	/Dimer/Al_Cl_Cl/Reactants/CAT/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-1179.51994782; Eh

Results 9241-9250 of 103542 (Search time: 0.007 seconds).