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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_Cl/Insertion/Int3 Int3González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-2872.53832048; Eh
thumbnail.jpeg17-Oct-2016/Monometallic/IC_p IC_pGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-1999.14258026; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_Cl/Insertion/TS2/Frozen FrozenGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-2872.53560904; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_Cl/Reactants/CAT CATGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-1329.07388997; Eh
thumbnail.jpeg17-Oct-2016/Monometallic/Int_p Int_pGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-1999.13875041; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_Cl/RO/IC ICGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-2668.84515232; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_Cl/Reactants/CHO CHOGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D3--309.725460839; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_Cl/Reactants/CO2 CO2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D3--188.535124368; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Insertion/Extra/Ensemble EnsembleGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-2868.94731123; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Insertion/Extra/Int2 Int2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-2868.97720251; Eh
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