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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/AD AD	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	-	-1034.04596972; 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
	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	PdII_Cl_H_OH_OR	Jover Modrego, Jesús	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RPBEPBE	6-31+G; SDD*	-895.421179179; Eh
	9-May-2016	PdII_Cl_OH_OR	Jover Modrego, Jesús	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RPBEPBE	6-31+G; SDD*	-895.419878844; Eh
	9-May-2016	Pd3OAc6	Jover Modrego, Jesús	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	6-31+G; SDD*	-1753.39112709; Eh
	9-May-2016	TS_VII	Jover Modrego, Jesús	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RPBEPBE	6-31+G; SDD*	-895.398298016; Eh
	9-May-2016	TS_VI	Jover Modrego, Jesús	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RPBEPBE	6-31+G; SDD*	-895.386220544; Eh
	9-May-2016	Pd2OAc4	Jover Modrego, Jesús	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	6-31+G; SDD*	-1168.90110807; Eh

Results 1331-1340 of 104079 (Search time: 0.004 seconds).