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

Search

previous
1
2
3
4
5
6
...
29
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_Me_I/RO/Int1/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-2979.57991846; Eh
	17-Oct-2016	/Dimer/Al_Cl_I/Reactants/CHO/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	-	-309.728908968; Eh
	17-Oct-2016	/Dimer/Al_Cl_I/Poly/Scans/Scan2/Sum/Freq/Fr Fr	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-3178.70375075; Eh
	17-Oct-2016	/Dimer/Al_Cl_I/Poly/Extra/Break Break	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-31G*	-3177.92906569; Eh
	17-Oct-2016	/Dimer/Al_H_I/RO/Int1/Frozen Frozen	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-2507.88551951; Eh
	17-Oct-2016	/Dimer/Al_Cl_I/RO/Int1 Int1	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-2680.42491034; Eh
	17-Oct-2016	/Dimer/Al_Me_Cl/RO/Int1 Int1	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-2983.09480520; Eh
	17-Oct-2016	/Dimer/Al_Me_I/RO/TS/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-2979.56532895; Eh
	17-Oct-2016	/Dimer/Al_Me_I/RO/IC/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-2967.98391097; 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

Results 21-30 of 288 (Search time: 0.001 seconds).