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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_Me_Cl/Insertion/TS2/Scan Scan	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-3171.63103854; Eh
	17-Oct-2016	/Dimer/Al_Cl_Cl/Poly/IC_p IC_p	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-3182.29923357; Eh
	17-Oct-2016	/Dimer/Al_Me_Cl/Poly/Dec_TS/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-3481.44814649; Eh
	17-Oct-2016	/Dimer/Al_Me_Cl/Poly/Int_p/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-3481.45762605; Eh
	17-Oct-2016	/Dimer/Al_Cl_Cl/Insertion/TS3/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-2872.58404455; Eh
	17-Oct-2016	/Dimer/Al_Me_Cl/Poly/TS_p/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-3481.42733677; Eh
	17-Oct-2016	/Initiation_Insertion/Int3/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-1689.43986244; Eh
	12-Dec-2016	/YbLa YbLa	González Fabra, Joan	ADF; 2013; 01	Geometry optimization	DFT	TZP; DZP	-27.47801425; Eh
	17-Oct-2017	/Adsorption/ni/3x3/h t	Li, Qiang	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-197.52498049; eV
	17-Oct-2016	/Dimer/Al_Me_Cl/Poly/Scans/Scan2/Sum Sum	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-31G*	-3177.93054392; Eh

Results 8851-8860 of 103542 (Search time: 0.008 seconds).