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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/TBD/Int2 Int2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	-	-1034.03162584; Eh
	31-Jul-2015	/Aniline/Uncatalyzed/TS TS	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D3	-	-669.055307491; Eh
	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	/Butylamine/Uncatalyzed/TS TS	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D3	-	-595.303333233; 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
	31-Jul-2015	/Butylamine/Uncatalyzed/Product Product	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	-	-595.365672718; Eh
	31-Jul-2015	/Butylamine/Uncatalyzed/AD AD	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	-	-595.353466330; Eh
	31-Jul-2015	/Butylamine/Catalyzed/TBD/Product P+TBD	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	-	-1034.06105276; Eh
	31-Jul-2015	/Butylamine/Catalyzed/TBD/Int1 Int1	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	-	-1034.02546424; Eh

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