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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/Scan Scan	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	RPM6	-	-0.280438686170; 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/Product P+TBD	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	-	-1034.06105276; Eh
	31-Jul-2015	/Butylamine/Catalyzed/TBD/AD AD	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	-	-1034.04596972; Eh
	9-May-2016	pdau-c4h6o-h2o	Jover Modrego, Jesús	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Geometry optimization	-	-	-411.20750733; eV
	9-May-2016	pdau-c4h6o-o-oh	Jover Modrego, Jesús	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Geometry optimization	-	-	-410.71872044; eV
	9-May-2016	TS_III_prime	Jover Modrego, Jesús	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Geometry optimization	-	-	-410.11812521; eV
	9-May-2016	pdau-c4h7o-oh	Jover Modrego, Jesús	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Geometry optimization	-	-	-410.08714547; eV
	9-May-2016	pdau-c4h8o-o	Jover Modrego, Jesús	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Geometry optimization	-	-	-410.50551484; eV
	9-May-2016	TS_II_prime	Jover Modrego, Jesús	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Geometry optimization	-	-	-409.38998571; eV

Results 17871-17880 of 104512 (Search time: 0.011 seconds).