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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	31-Jul-2015	/Aniline/Catalyzed/TBD/Int3 Int3	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	RB97D3	-	-1107.80716653; Eh
	31-Jul-2015	/Butylamine/Reactants/Carbonate Carbonate	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	-	-381.608334345; Eh
	31-Jul-2015	/Aniline/Catalyzed/TBD/AD AD	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	-	-1107.81629772; Eh
	31-Jul-2015	/Butylamine/Reactants/Butylamine Butylamine	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	-	-213.733449361; Eh
	31-Jul-2015	/Butylamine/Reactants/TBD TBD	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	-	-438.674054269; Eh
	31-Jul-2015	/Butylamine/Reactants/Water Water	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	-	-76.4148457802; Eh
	31-Jul-2015	/Aniline/Catalyzed/TBD/TS2_opt TS2-opt	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D3	-	-1107.80702412; Eh
	31-Jul-2015	/Aniline/Catalyzed/TBD/TS1 TS1	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D3	-	-1107.78721681; Eh
	31-Jul-2015	/Aniline/Catalyzed/TBD/TS2_freq TS2-freq	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	RB97D3	-	-1107.80702412; Eh
	31-Jul-2015	/Aniline/Catalyzed/TBD/Final_Product Final-Product	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	RB97D3	-	-669.107612504; Eh

Results 21-30 of 40 (Search time: 0.001 seconds).