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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_I/RO/Int1/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-2979.57991846; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Reactants/CHO/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D3--309.728908968; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Poly/Scans/Scan2/Sum/Freq/Fr FrGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-3178.70375075; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Poly/Extra/Break BreakGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-31G*-3177.92906569; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_H_I/RO/Int1/Frozen FrozenGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-2507.88551951; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/RO/Int1 Int1González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-2680.42491034; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_Cl/RO/Int1 Int1González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-2983.09480520; Eh
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_Me_I/RO/IC/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-2967.98391097; 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
Results 21-30 of 288 (Search time: 0.001 seconds).