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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Poly/Scans/Scan2/Sum/Freq/FAIL FAILGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRB97D36-31G*-3177.92698911; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Poly/Extra/Break/Sum/Freq FreqGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRB97D36-31G*-3177.92241249; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Poly/Extra/ICp1/Next NextGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-31G*-3177.95534390; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Poly/Final_Product/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-3488.51685850; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_Cl/Insertion/Int3/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-3171.70381425; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Poly/Int_p/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-3178.78763403; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/RO/IC/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-2668.87247542; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_H_I/RO/Int1/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-2507.94953640; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_Cl/RO/TS TSGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-2683.95097062; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Reactants/Iodide/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D3--11.5865849346; Eh
Results 251-260 of 288 (Search time: 0.001 seconds).