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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Insertion/Extra/Scans/Scan_chelate Scan_chelateGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-31G*-2868.26851816; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Insertion/Extra/Int2_b Int2_bGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-2868.96804574; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Insertion/Int3 Int3González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-2868.96697119; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_Cl/Reactants/CAT CATGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-1179.50195175; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Insertion/Extra/Int2_chelate Int2_chelateGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-2868.98335598; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Insertion/Extra/Scans/Scan_l Scan_lGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-31G*-2868.26952266; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Insertion/Extra/Scans/Scan/Close CloseGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-31G*-2868.27353454; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_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_Cl_I/Insertion/Extra/Scans/Scan2/Decoordination DecoordinationGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-31G*-2868.26396992; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Insertion/Extra/Scans/Scan_chelate/Sum SumGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-31G*-2868.25614846; Eh
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