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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-Oct-2016/Dimer/Al_H_I/Reactants/Dimer DimerGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-2186.56742925; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_H_I/Reactants/CAT/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-1093.26408702; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_H_I/RO/Int1 Int1González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-2507.88706030; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_H_I/Reactants/CO2 CO2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D3--188.535124368; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Poly/Extra/IC_p_isom IC_p_isomGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-3178.76516894; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Insertion/Int2 Int2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-2868.96703593; Eh
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/Poly/IC_p/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-3481.44862458; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_I/Poly/TS_p/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-3477.85550037; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_Cl/Reactants/CHO/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D3--309.728908968; Eh
Results 71-80 of 281 (Search time: 0.001 seconds).