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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_Cl/Poly/TS_p/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-3182.33182575; Eh
	17-Oct-2016	/Dimer/Al_Me_Cl/Insertion/TS2 TS2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D3	6-311G**	-3171.63059515; Eh
	17-Oct-2016	/Initiation_Insertion/Int2 Int2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-1689.38273531; 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/Reactants/CHO CHO	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	-	-309.725460839; Eh
	17-Oct-2017	/Adsorption/ni/3x3/h f_l	Li, Qiang	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-199.23005311; eV
	17-Oct-2017	/Adsorption/ni/3x3/h h	Li, Qiang	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-199.21066646; eV
	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_Cl_Cl/Insertion/TS2/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-2872.58979787; Eh
	17-Oct-2016	/Dimer/Al_Me_Cl/Insertion/TS3/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-3171.69052920; Eh

Results 8861-8870 of 103542 (Search time: 0.007 seconds).