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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_Cl/Insertion/Int2 Int2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-3171.63096765; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_Cl/Reactants/Dimer DimerGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-2658.21873942; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_Cl/Poly/Product ProductGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-3182.30485123; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_I/Insertion/Int2 Int2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-3168.06117009; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_I/Poly/Product ProductGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-3477.83610538; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_I/Reactants/CAT CATGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-1179.50195175; Eh
thumbnail.jpeg17-Oct-2016/Reactants/CHO CHOGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D3--309.736011608; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_I/Poly/Scans/Scan_isom Scan_isomGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-31G*-3177.93879761; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_I/Insertion/TS3/Frozen FrozenGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-3168.06172268; Eh
thumbnail.jpeg17-Oct-2016/Reactants/Catalyst CatalystGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-1179.50357834; Eh
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