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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	31-Jul-2015	/CCSD_T/Butylamine/Uncatalyzed/AD AD	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RCCSD	-	-592.062457254; 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/Scan Scan	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	RPM6	-	-0.280438686170; 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
	31-Jul-2015	/Butylamine/Catalyzed/TBD/AD AD	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	-	-1034.04596972; Eh
	31-Jul-2015	/Butylamine/Catalyzed/Water/1_Water/TS TS-Water	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D3	-	-671.747244637; Eh
	31-Jul-2015	/Butylamine/Catalyzed/Water/2_Water/Product Product	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	-	-748.234582789; Eh
	31-Jul-2015	/Butylamine/Catalyzed/Water/2_Water/AD AD	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	-	-748.214349336; Eh
	31-Jul-2015	/Butylamine/Catalyzed/Water/1_Water/AD AD	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	-	-671.778638701; Eh

Results 21-30 of 53 (Search time: 0.001 seconds).