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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Dec-2017	/Racemization/Ep_Alk Ep_Alk	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-267.772995968; Eh
	17-Oct-2016	/Dimer/Al_Me_Cl/Poly/Int_p Int_p	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-3481.39914022; Eh
	17-Oct-2016	/Dimer/Al_Me_Cl/Poly/Product Product	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-3481.40751989; Eh
	17-Oct-2016	/Dimer/Al_H_I/Poly/Product/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-3006.26477369; Eh
	17-Oct-2016	/Initiation_Insertion/Int1 Int1	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-1500.85161887; Eh
	17-Oct-2016	/Monometallic/TS_p_/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-1999.20080559; Eh
	17-Oct-2016	/Dimer/Al_Me_Cl/Reactants/CHO/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	-	-309.728908968; Eh
	17-Oct-2016	/Dimer/Al_H_I/Reactants/Iodide/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	-	-11.5865849346; Eh
	17-Oct-2016	/Dimer/Al_Cl_I/RO/Int1/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-2680.47981670; Eh
	17-Oct-2016	/Dimer/Al_H_I/Poly/Product Product	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-3006.20214293; Eh

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