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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Oct-2016	/Dimer/Al_Cl_I/Poly/IC_p/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-3178.78182899; Eh
	17-Oct-2016	/Dimer/Al_Cl_I/Reactants/Dimer/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-2359.11264319; 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_Me_I/RO/Int1 Int1	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-2979.52552732; 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
	13-Dec-2016	positivemodel_B	Melgar, Dolores	ADF; 2012; 01	Single point	DFT	-	-
	13-Dec-2016	negativemodel_HCO3	Melgar, Dolores	ADF; 2012; 01	Single point	DFT	-	-
	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_Cl_I/Poly/Product/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-3178.78844146; Eh

Results 8681-8690 of 103542 (Search time: 0.008 seconds).