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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-Oct-2016/Dimer/Al_H_I/Insertion/TS2/FAIL FAILGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization Structure-6-311G**-2696.42776711; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_H_I/Insertion/Int2/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-2696.50429452; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_H_I/Insertion/Int2 Int2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-2696.44016419; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_H_I/Poly/Int_p Int_pGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-3006.19209497; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_H_I/Insertion/TS2/Scan ScanGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-31G*-2695.71124437; Eh
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_H_I/Insertion/TS2/FAIL/Frozen FrozenGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization Structure-6-311G**-2696.43078868; 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/TS_p_/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-3178.77339186; Eh
Results 11-20 of 288 (Search time: 0.002 seconds).