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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	31-Jul-2015	/Butylamine/Catalyzed/Water/1_Water/Product Product	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	-	-671.796785469; Eh
	31-Jul-2015	/Aniline/Catalyzed/TBD/Product P+TBD	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	-	-1107.81485137; Eh
	31-Jul-2015	/Aniline/Reactants/TBD TBD	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	-	-438.672387190; Eh
	17-Oct-2016	/Dimer/Al_H_I/RO/TS TS	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D3	6-311G**	-2507.86078924; Eh
	17-Oct-2016	/Dimer/Al_H_I/Poly/IC_p IC_p	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-3006.19892079; Eh
	17-Oct-2016	/Dimer/Al_H_I/Poly/Dec_TS Dec_TS	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D3	6-311G**	-3006.18424930; Eh
	17-Oct-2016	/Dimer/Al_H_I/RO/IC/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-2496.35317509; Eh
	17-Oct-2016	/Dimer/Al_H_I/Poly/TS_p TS_p	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D3	6-311G**	-3006.16732138; Eh
	17-Oct-2016	/Dimer/Al_H_I/Insertion/TS2/Freq Freq	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	RB97D3	6-311G**	-2696.42954388; Eh
	17-Oct-2016	/Dimer/Al_H_I/Insertion/TS3/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-2696.49492792; Eh

Results 51-60 of 689 (Search time: 0.002 seconds).