ioChem-BD Browse - Institute of Chemical Research of Catalonia: Search

Search

previous
1
...
1788
1789
1790
1791
1792
1793
1794
...
10452
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	31-Jul-2015	/Butylamine/Catalyzed/TBD/TS2 TS2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D3	-	-1034.04349475; Eh
	9-May-2016	PdII_Cl_O2_ROH	Jover Modrego, Jesús	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RPBEPBE	6-31+G; SDD*	-970.500473921; Eh
	9-May-2016	PdII_Cl_OOH_RO	Jover Modrego, Jesús	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RPBEPBE	6-31+G; SDD*	-970.491184773; Eh
	9-May-2016	TS_II	Jover Modrego, Jesús	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RPBEPBE	6-31+G; SDD*	-970.469264016; 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
	31-Jul-2015	/Butylamine/Catalyzed/Water/2_Water/TS TS-2Water	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D3	-	-748.175032788; 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/Reactants/Butylamine Butylamine	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	-	-213.733449361; Eh

Results 17901-17910 of 104512 (Search time: 0.011 seconds).