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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_I/RO/TS/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-2979.56532895; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Poly/Scans/Scan2/Sum/Freq/FAIL/Opt OptGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization Structure-6-31G*-3177.95239751; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Insertion/Extra/Scans/Scan2/Tests 3González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-31G*-2868.26391288; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_Cl/Insertion/TS2/Scan ScanGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-3171.63103854; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_Cl/Poly/IC_p IC_pGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-3182.29923357; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_Cl/Poly/Dec_TS/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-3481.44814649; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_Cl/Poly/Int_p/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-3481.45762605; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_Cl/Insertion/TS3/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-2872.58404455; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_Cl/Poly/TS_p/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-3481.42733677; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_Cl/Insertion/TS2 TS2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-3171.63059515; Eh
Results 31-40 of 288 (Search time: 0.001 seconds).