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

Search

previous
1
2
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Oct-2016	/Dimer/Al_H_I/Insertion/TS2/Freq Freq	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	RB97D3	6-311G**	-2696.42954388; Eh
	17-Oct-2016	/Dimer/Al_H_I/Insertion/TS2/FAIL FAIL	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	-	6-311G**	-2696.42776711; Eh
	17-Oct-2016	/Dimer/Al_H_I/Insertion/TS3/FAIL FAIL	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	-	6-311G**	-2696.42361005; Eh
	17-Oct-2016	/Dimer/Al_H_I/Insertion/TS2/FAIL/Frozen Frozen	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	-	6-311G**	-2696.43078868; Eh
	17-Oct-2016	/Dimer/Al_Cl_I/Poly/Scans/Scan2/Sum/Freq/FAIL/Opt Opt	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	-	6-31G*	-3177.95239751; Eh
	17-Oct-2016	/Dimer/Al_Cl_Cl/Insertion/TS2/FAIL FAIL	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	-	6-311G**	-2872.51049382; Eh
	17-Oct-2016	/Dimer/Al_Me_Cl/Poly/TS_p TS_p	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	RB97D3	6-311G**	-3481.37013907; Eh
	17-Oct-2016	/Dimer/Al_H_I/Reactants/Iodide Iodide	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	RB97D3	-	-11.4927518707; Eh
	17-Oct-2016	/Reactants/Iodide Iodide	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	RB97D3	-	-11.4927518707; Eh
	17-Oct-2016	/Dimer/Al_Me_Cl/Reactants/Chloride Chloride	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	RB97D3	-	-15.0283281733; Eh

Results 1-10 of 19 (Search time: 0.001 seconds).